1-N',1-N'-dipropyl-1-N-undecan-2-ylethene-1,1-diamine

C19H40N2 — CID 172566835

IUPAC1-N',1-N'-dipropyl-1-N-undecan-2-ylethene-1,1-diamine
SMILESC=C(NC(C)CCCCCCCCC)N(CCC)CCC
InChIInChI=1S/C19H40N2/c1-6-9-10-11-12-13-14-15-18(4)20-19(5)21(16-7-2)17-8-3/h18,20H,5-17H2,1-4H3
InChIKeyQDAYBUBUFFDDAI-UHFFFAOYSA-N
MW296.54 g/mol
LogP5.70
Rot. Bonds15

About 1-N',1-N'-dipropyl-1-N-undecan-2-ylethene-1,1-diamine

1-N',1-N'-dipropyl-1-N-undecan-2-ylethene-1,1-diamine (PubChem CID 172566835) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 1-N',1-N'-dipropyl-1-N-undecan-2-ylethene-1,1-diamine.

Molecular Properties

Compound Name1-N',1-N'-dipropyl-1-N-undecan-2-ylethene-1,1-diamine
PubChem CID172566835
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name1-N',1-N'-dipropyl-1-N-undecan-2-ylethene-1,1-diamine
SMILESC=C(NC(C)CCCCCCCCC)N(CCC)CCC
InChIInChI=1S/C19H40N2/c1-6-9-10-11-12-13-14-15-18(4)20-19(5)21(16-7-2)17-8-3/h18,20H,5-17H2,1-4H3
InChIKeyQDAYBUBUFFDDAI-UHFFFAOYSA-N
XLogP5.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-nonan-2-yl-N-propylnonan-2-amine
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CID 174988669
N-tetradecan-2-yltetradecan-2-amine
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1,1-diethyl-3-heptan-2-ylurea
CID 78889279
tetradecan-2-ylthiourea
CID 21132755
N-(4-methylpenta-1,4-dien-2-yl)hexan-2-amine
CID 142109813
N-methyltetradecan-2-amine
CID 54073704
2-[hexan-2-ylcarbamoyl(propyl)amino]acetic acid
CID 62198612
1-(pentadecan-2-ylamino)ethanol
CID 90985657

Frequently Asked Questions

What is the IUPAC name of 1-N',1-N'-dipropyl-1-N-undecan-2-ylethene-1,1-diamine?
The IUPAC name of 1-N',1-N'-dipropyl-1-N-undecan-2-ylethene-1,1-diamine (CID 172566835) is 1-N',1-N'-dipropyl-1-N-undecan-2-ylethene-1,1-diamine.
What is the SMILES notation for 1-N',1-N'-dipropyl-1-N-undecan-2-ylethene-1,1-diamine?
The canonical SMILES for 1-N',1-N'-dipropyl-1-N-undecan-2-ylethene-1,1-diamine is C=C(NC(C)CCCCCCCCC)N(CCC)CCC.
What is the InChIKey of 1-N',1-N'-dipropyl-1-N-undecan-2-ylethene-1,1-diamine?
The InChIKey is QDAYBUBUFFDDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2/c1-6-9-10-11-12-13-14-15-18(4)20-19(5)21(16-7-2)17-8-3/h18,20H,5-17H2,1-4H3.
What are the key properties of 1-N',1-N'-dipropyl-1-N-undecan-2-ylethene-1,1-diamine?
1-N',1-N'-dipropyl-1-N-undecan-2-ylethene-1,1-diamine has a molecular weight of 296.54 g/mol, XLogP of 5.70, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N'-dipropyl-1-N-undecan-2-ylethene-1,1-diamine is sourced from PubChem (CID 172566835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).