N'-[2-[methyl-[2-(prop-2-enylamino)ethyl]amino]ethyl]-N'-[2-(propylamino)ethyl]ethane-1,2-diamine;prop-1-ene

C18H41N5 — CID 91277168

IUPACN'-[2-[methyl-[2-(prop-2-enylamino)ethyl]amino]ethyl]-N'-[2-(propylamino)ethyl]ethane-1,2-diamine;prop-1-ene
SMILESC=CC.C=CCNCCN(C)CCN(CCN)CCNCCC
InChIInChI=1S/C15H35N5.C3H6/c1-4-7-17-9-12-19(3)14-15-20(11-6-16)13-10-18-8-5-2;1-3-2/h4,17-18H,1,5-16H2,2-3H3;3H,1H2,2H3
InChIKeyUWOYQHOKGNWPLD-UHFFFAOYSA-N
MW327.56 g/mol
LogP1.15
Rot. Bonds15

About N'-[2-[methyl-[2-(prop-2-enylamino)ethyl]amino]ethyl]-N'-[2-(propylamino)ethyl]ethane-1,2-diamine;prop-1-ene

N'-[2-[methyl-[2-(prop-2-enylamino)ethyl]amino]ethyl]-N'-[2-(propylamino)ethyl]ethane-1,2-diamine;prop-1-ene (PubChem CID 91277168) has the molecular formula C18H41N5 and a molecular weight of 327.56 g/mol. Its IUPAC name is N'-[2-[methyl-[2-(prop-2-enylamino)ethyl]amino]ethyl]-N'-[2-(propylamino)ethyl]ethane-1,2-diamine;prop-1-ene.

Molecular Properties

Compound NameN'-[2-[methyl-[2-(prop-2-enylamino)ethyl]amino]ethyl]-N'-[2-(propylamino)ethyl]ethane-1,2-diamine;prop-1-ene
PubChem CID91277168
Molecular FormulaC18H41N5
Molecular Weight327.56 g/mol
Exact Mass327.34
IUPAC NameN'-[2-[methyl-[2-(prop-2-enylamino)ethyl]amino]ethyl]-N'-[2-(propylamino)ethyl]ethane-1,2-diamine;prop-1-ene
SMILESC=CC.C=CCNCCN(C)CCN(CCN)CCNCCC
InChIInChI=1S/C15H35N5.C3H6/c1-4-7-17-9-12-19(3)14-15-20(11-6-16)13-10-18-8-5-2;1-3-2/h4,17-18H,1,5-16H2,2-3H3;3H,1H2,2H3
InChIKeyUWOYQHOKGNWPLD-UHFFFAOYSA-N
XLogP1.15
TPSA56.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.56
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 6475492
CID 6475492
CID 6476696
CID 6476696
CID 6532281
CID 6532281
CID 11681205
CID 11681205
CID 45263466
CID 45263466
CID 45263477
CID 45263477
CID 6476687
CID 6476687
CID 6476689
CID 6476689
CID 6476690
CID 6476690
CID 6476691
CID 6476691
CID 6476692
CID 6476692
CID 6476693
CID 6476693

Frequently Asked Questions

What is the IUPAC name of N'-[2-[methyl-[2-(prop-2-enylamino)ethyl]amino]ethyl]-N'-[2-(propylamino)ethyl]ethane-1,2-diamine;prop-1-ene?
The IUPAC name of N'-[2-[methyl-[2-(prop-2-enylamino)ethyl]amino]ethyl]-N'-[2-(propylamino)ethyl]ethane-1,2-diamine;prop-1-ene (CID 91277168) is N'-[2-[methyl-[2-(prop-2-enylamino)ethyl]amino]ethyl]-N'-[2-(propylamino)ethyl]ethane-1,2-diamine;prop-1-ene.
What is the SMILES notation for N'-[2-[methyl-[2-(prop-2-enylamino)ethyl]amino]ethyl]-N'-[2-(propylamino)ethyl]ethane-1,2-diamine;prop-1-ene?
The canonical SMILES for N'-[2-[methyl-[2-(prop-2-enylamino)ethyl]amino]ethyl]-N'-[2-(propylamino)ethyl]ethane-1,2-diamine;prop-1-ene is C=CC.C=CCNCCN(C)CCN(CCN)CCNCCC.
What is the InChIKey of N'-[2-[methyl-[2-(prop-2-enylamino)ethyl]amino]ethyl]-N'-[2-(propylamino)ethyl]ethane-1,2-diamine;prop-1-ene?
The InChIKey is UWOYQHOKGNWPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N5.C3H6/c1-4-7-17-9-12-19(3)14-15-20(11-6-16)13-10-18-8-5-2;1-3-2/h4,17-18H,1,5-16H2,2-3H3;3H,1H2,2H3.
What are the key properties of N'-[2-[methyl-[2-(prop-2-enylamino)ethyl]amino]ethyl]-N'-[2-(propylamino)ethyl]ethane-1,2-diamine;prop-1-ene?
N'-[2-[methyl-[2-(prop-2-enylamino)ethyl]amino]ethyl]-N'-[2-(propylamino)ethyl]ethane-1,2-diamine;prop-1-ene has a molecular weight of 327.56 g/mol, XLogP of 1.15, 15 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[methyl-[2-(prop-2-enylamino)ethyl]amino]ethyl]-N'-[2-(propylamino)ethyl]ethane-1,2-diamine;prop-1-ene is sourced from PubChem (CID 91277168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).