(Z)-3-[(Z)-2-amino-3-(5-methylhexylamino)prop-2-enoxy]-1-N-(5-methylhexyl)prop-1-ene-1,2-diamine

C20H42N4O — CID 145206770

IUPAC(Z)-3-[(Z)-2-amino-3-(5-methylhexylamino)prop-2-enoxy]-1-N-(5-methylhexyl)prop-1-ene-1,2-diamine
SMILESCC(C)CCCCN/C=C(\N)COC/C(N)=C/NCCCCC(C)C
InChIInChI=1S/C20H42N4O/c1-17(2)9-5-7-11-23-13-19(21)15-25-16-20(22)14-24-12-8-6-10-18(3)4/h13-14,17-18,23-24H,5-12,15-16,21-22H2,1-4H3/b19-13-,20-14-
InChIKeyYMKVKPFHUYTLDU-AXPXABNXSA-N
MW354.58 g/mol
LogP3.43
Rot. Bonds16

About (Z)-3-[(Z)-2-amino-3-(5-methylhexylamino)prop-2-enoxy]-1-N-(5-methylhexyl)prop-1-ene-1,2-diamine

(Z)-3-[(Z)-2-amino-3-(5-methylhexylamino)prop-2-enoxy]-1-N-(5-methylhexyl)prop-1-ene-1,2-diamine (PubChem CID 145206770) has the molecular formula C20H42N4O and a molecular weight of 354.58 g/mol. Its IUPAC name is (Z)-3-[(Z)-2-amino-3-(5-methylhexylamino)prop-2-enoxy]-1-N-(5-methylhexyl)prop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-3-[(Z)-2-amino-3-(5-methylhexylamino)prop-2-enoxy]-1-N-(5-methylhexyl)prop-1-ene-1,2-diamine
PubChem CID145206770
Molecular FormulaC20H42N4O
Molecular Weight354.58 g/mol
Exact Mass354.34
IUPAC Name(Z)-3-[(Z)-2-amino-3-(5-methylhexylamino)prop-2-enoxy]-1-N-(5-methylhexyl)prop-1-ene-1,2-diamine
SMILESCC(C)CCCCN/C=C(\N)COC/C(N)=C/NCCCCC(C)C
InChIInChI=1S/C20H42N4O/c1-17(2)9-5-7-11-23-13-19(21)15-25-16-20(22)14-24-12-8-6-10-18(3)4/h13-14,17-18,23-24H,5-12,15-16,21-22H2,1-4H3/b19-13-,20-14-
InChIKeyYMKVKPFHUYTLDU-AXPXABNXSA-N
XLogP3.43
TPSA85.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 53.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (Z)-3-[(Z)-2-amino-3-(5-methylhexylamino)prop-2-enoxy]-1-N-(5-methylhexyl)prop-1-ene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-methyl-N-(12-methyltridecylamino)oxytridecan-1-amine
CID 88780300
N-[3-(4-methylpentoxy)propyl]formamide
CID 167156422
1-ethoxy-3-(5-methylhexylamino)propan-2-ol
CID 115325282
2-(11-methyldodecylamino)guanidine
CID 11580168
2-(5-methylhexylamino)acetamide
CID 115325450
2-ethoxy-N-(5-methylhexyl)acetamide
CID 21019006
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
N,5-dimethylhexan-1-amine;ethane
CID 142540507
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
1-(2-aminoethylamino)-3-(7-methyloctoxy)propan-2-ol
CID 175928997
5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine
CID 163400443
1-amino-2-methyl-3-(5-methylhexyl)guanidine
CID 104882389

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(Z)-2-amino-3-(5-methylhexylamino)prop-2-enoxy]-1-N-(5-methylhexyl)prop-1-ene-1,2-diamine?
The IUPAC name of (Z)-3-[(Z)-2-amino-3-(5-methylhexylamino)prop-2-enoxy]-1-N-(5-methylhexyl)prop-1-ene-1,2-diamine (CID 145206770) is (Z)-3-[(Z)-2-amino-3-(5-methylhexylamino)prop-2-enoxy]-1-N-(5-methylhexyl)prop-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-3-[(Z)-2-amino-3-(5-methylhexylamino)prop-2-enoxy]-1-N-(5-methylhexyl)prop-1-ene-1,2-diamine?
The canonical SMILES for (Z)-3-[(Z)-2-amino-3-(5-methylhexylamino)prop-2-enoxy]-1-N-(5-methylhexyl)prop-1-ene-1,2-diamine is CC(C)CCCCN/C=C(\N)COC/C(N)=C/NCCCCC(C)C.
What is the InChIKey of (Z)-3-[(Z)-2-amino-3-(5-methylhexylamino)prop-2-enoxy]-1-N-(5-methylhexyl)prop-1-ene-1,2-diamine?
The InChIKey is YMKVKPFHUYTLDU-AXPXABNXSA-N. The full InChI is InChI=1S/C20H42N4O/c1-17(2)9-5-7-11-23-13-19(21)15-25-16-20(22)14-24-12-8-6-10-18(3)4/h13-14,17-18,23-24H,5-12,15-16,21-22H2,1-4H3/b19-13-,20-14-.
What are the key properties of (Z)-3-[(Z)-2-amino-3-(5-methylhexylamino)prop-2-enoxy]-1-N-(5-methylhexyl)prop-1-ene-1,2-diamine?
(Z)-3-[(Z)-2-amino-3-(5-methylhexylamino)prop-2-enoxy]-1-N-(5-methylhexyl)prop-1-ene-1,2-diamine has a molecular weight of 354.58 g/mol, XLogP of 3.43, 16 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(Z)-2-amino-3-(5-methylhexylamino)prop-2-enoxy]-1-N-(5-methylhexyl)prop-1-ene-1,2-diamine is sourced from PubChem (CID 145206770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).