N,N'-bis(5,5-dimethylhex-1-en-2-yl)-N,N'-dimethylpropane-1,3-diamine

C21H42N2 — CID 170265517

IUPACN,N'-bis(5,5-dimethylhex-1-en-2-yl)-N,N'-dimethylpropane-1,3-diamine
SMILESC=C(CCC(C)(C)C)N(C)CCCN(C)C(=C)CCC(C)(C)C
InChIInChI=1S/C21H42N2/c1-18(12-14-20(3,4)5)22(9)16-11-17-23(10)19(2)13-15-21(6,7)8/h1-2,11-17H2,3-10H3
InChIKeyHNRQYCMCBTZFNA-UHFFFAOYSA-N
MW322.58 g/mol
LogP5.92
Rot. Bonds10

About N,N'-bis(5,5-dimethylhex-1-en-2-yl)-N,N'-dimethylpropane-1,3-diamine

N,N'-bis(5,5-dimethylhex-1-en-2-yl)-N,N'-dimethylpropane-1,3-diamine (PubChem CID 170265517) has the molecular formula C21H42N2 and a molecular weight of 322.58 g/mol. Its IUPAC name is N,N'-bis(5,5-dimethylhex-1-en-2-yl)-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis(5,5-dimethylhex-1-en-2-yl)-N,N'-dimethylpropane-1,3-diamine
PubChem CID170265517
Molecular FormulaC21H42N2
Molecular Weight322.58 g/mol
Exact Mass322.33
IUPAC NameN,N'-bis(5,5-dimethylhex-1-en-2-yl)-N,N'-dimethylpropane-1,3-diamine
SMILESC=C(CCC(C)(C)C)N(C)CCCN(C)C(=C)CCC(C)(C)C
InChIInChI=1S/C21H42N2/c1-18(12-14-20(3,4)5)22(9)16-11-17-23(10)19(2)13-15-21(6,7)8/h1-2,11-17H2,3-10H3
InChIKeyHNRQYCMCBTZFNA-UHFFFAOYSA-N
XLogP5.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(5,5-dimethylhex-1-en-2-yl)-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of N,N'-bis(5,5-dimethylhex-1-en-2-yl)-N,N'-dimethylpropane-1,3-diamine (CID 170265517) is N,N'-bis(5,5-dimethylhex-1-en-2-yl)-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N,N'-bis(5,5-dimethylhex-1-en-2-yl)-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N,N'-bis(5,5-dimethylhex-1-en-2-yl)-N,N'-dimethylpropane-1,3-diamine is C=C(CCC(C)(C)C)N(C)CCCN(C)C(=C)CCC(C)(C)C.
What is the InChIKey of N,N'-bis(5,5-dimethylhex-1-en-2-yl)-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is HNRQYCMCBTZFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2/c1-18(12-14-20(3,4)5)22(9)16-11-17-23(10)19(2)13-15-21(6,7)8/h1-2,11-17H2,3-10H3.
What are the key properties of N,N'-bis(5,5-dimethylhex-1-en-2-yl)-N,N'-dimethylpropane-1,3-diamine?
N,N'-bis(5,5-dimethylhex-1-en-2-yl)-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 322.58 g/mol, XLogP of 5.92, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(5,5-dimethylhex-1-en-2-yl)-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 170265517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).