N'-[4-(trimethoxymethyl)undecyl]ethane-1,2-diamine

C17H38N2O3 — CID 150981687

IUPACN'-[4-(trimethoxymethyl)undecyl]ethane-1,2-diamine
SMILESCCCCCCCC(CCCNCCN)C(OC)(OC)OC
InChIInChI=1S/C17H38N2O3/c1-5-6-7-8-9-11-16(12-10-14-19-15-13-18)17(20-2,21-3)22-4/h16,19H,5-15,18H2,1-4H3
InChIKeyLQFSFNSKVAFOJK-UHFFFAOYSA-N
MW318.50 g/mol
LogP2.88
Rot. Bonds16

About N'-[4-(trimethoxymethyl)undecyl]ethane-1,2-diamine

N'-[4-(trimethoxymethyl)undecyl]ethane-1,2-diamine (PubChem CID 150981687) has the molecular formula C17H38N2O3 and a molecular weight of 318.50 g/mol. Its IUPAC name is N'-[4-(trimethoxymethyl)undecyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(trimethoxymethyl)undecyl]ethane-1,2-diamine
PubChem CID150981687
Molecular FormulaC17H38N2O3
Molecular Weight318.50 g/mol
Exact Mass318.29
IUPAC NameN'-[4-(trimethoxymethyl)undecyl]ethane-1,2-diamine
SMILESCCCCCCCC(CCCNCCN)C(OC)(OC)OC
InChIInChI=1S/C17H38N2O3/c1-5-6-7-8-9-11-16(12-10-14-19-15-13-18)17(20-2,21-3)22-4/h16,19H,5-15,18H2,1-4H3
InChIKeyLQFSFNSKVAFOJK-UHFFFAOYSA-N
XLogP2.88
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(1,1-dimethoxyethyl)dodecyl]ethane-1,2-diamine
CID 150867086
6-(trimethoxymethyl)tridecane
CID 151806345
butan-1-amine;4-(trimethoxymethyl)dodecane
CID 159368257
4-(trimethoxymethyl)dodecane;hydrochloride
CID 172790816
3-(trimethoxymethyl)undecane
CID 150552650
2-methyl-5-(trimethoxymethyl)tridecane
CID 151591018
1,1,1-trifluoro-5-(trimethoxymethyl)tridecane
CID 150730779
(4R)-N-ethyl-4-(triethoxymethyl)dodecan-1-amine
CID 150711202
N'-docosylethane-1,2-diamine
CID 18783196
N'-henicosylethane-1,2-diamine
CID 22930907
6-N-hexylhexane-1,3,6-triamine
CID 87991067
1-methylsulfanyl-4-(trimethoxymethyl)dodecane
CID 150283206

Frequently Asked Questions

What is the IUPAC name of N'-[4-(trimethoxymethyl)undecyl]ethane-1,2-diamine?
The IUPAC name of N'-[4-(trimethoxymethyl)undecyl]ethane-1,2-diamine (CID 150981687) is N'-[4-(trimethoxymethyl)undecyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-(trimethoxymethyl)undecyl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-(trimethoxymethyl)undecyl]ethane-1,2-diamine is CCCCCCCC(CCCNCCN)C(OC)(OC)OC.
What is the InChIKey of N'-[4-(trimethoxymethyl)undecyl]ethane-1,2-diamine?
The InChIKey is LQFSFNSKVAFOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2O3/c1-5-6-7-8-9-11-16(12-10-14-19-15-13-18)17(20-2,21-3)22-4/h16,19H,5-15,18H2,1-4H3.
What are the key properties of N'-[4-(trimethoxymethyl)undecyl]ethane-1,2-diamine?
N'-[4-(trimethoxymethyl)undecyl]ethane-1,2-diamine has a molecular weight of 318.50 g/mol, XLogP of 2.88, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(trimethoxymethyl)undecyl]ethane-1,2-diamine is sourced from PubChem (CID 150981687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).