N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine

C14H33N3 — CID 102997503

IUPACN'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine
SMILESCCN(CCCCCCNC)CCCN(C)C
InChIInChI=1S/C14H33N3/c1-5-17(14-10-12-16(3)4)13-9-7-6-8-11-15-2/h15H,5-14H2,1-4H3
InChIKeyTXBZSEMQGZOGCZ-UHFFFAOYSA-N
MW243.44 g/mol
LogP2.04
Rot. Bonds12

About N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine

N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine (PubChem CID 102997503) has the molecular formula C14H33N3 and a molecular weight of 243.44 g/mol. Its IUPAC name is N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine
PubChem CID102997503
Molecular FormulaC14H33N3
Molecular Weight243.44 g/mol
Exact Mass243.27
IUPAC NameN'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine
SMILESCCN(CCCCCCNC)CCCN(C)C
InChIInChI=1S/C14H33N3/c1-5-17(14-10-12-16(3)4)13-9-7-6-8-11-15-2/h15H,5-14H2,1-4H3
InChIKeyTXBZSEMQGZOGCZ-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N',N'-trimethylheptane-1,7-diamine
CID 20647758
azane;N,N',N'-trimethylhexane-1,6-diamine
CID 23104245
N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine
CID 57013062
N'-ethyl-N-methyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine
CID 142226092
N,N-dimethyl-N'-[2-(methylamino)ethyl]-N'-propylpropane-1,3-diamine
CID 114525574
methanol;N,N',N'-trimethylpropane-1,3-diamine
CID 172587497
N'-ethyl-N,N-dimethyl-N'-[2-(propan-2-ylamino)ethyl]propane-1,3-diamine
CID 114525572
N',N'-diethyl-N-methylpropane-1,3-diamine;molecular hydrogen;propane
CID 156874721
N'-[[2-[3-(dimethylamino)propyl]hydrazinyl]methyl]-N'-ethyl-N-methylethane-1,2-diamine
CID 139553651
N-methyl-N-[6-(methylamino)hexyl]hydroxylamine
CID 147147994
N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine
CID 23131522
N,N'-dimethyl-N'-tetradecylbutane-1,4-diamine
CID 139950987

Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine?
The IUPAC name of N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine (CID 102997503) is N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine.
What is the SMILES notation for N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine?
The canonical SMILES for N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine is CCN(CCCCCCNC)CCCN(C)C.
What is the InChIKey of N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine?
The InChIKey is TXBZSEMQGZOGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3/c1-5-17(14-10-12-16(3)4)13-9-7-6-8-11-15-2/h15H,5-14H2,1-4H3.
What are the key properties of N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine?
N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine has a molecular weight of 243.44 g/mol, XLogP of 2.04, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine is sourced from PubChem (CID 102997503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).