2-N-[3-(diethylamino)propyl]-1-N,2-N-diethyl-3-methylbutane-1,2-diamine

C16H37N3 — CID 102997714

IUPAC2-N-[3-(diethylamino)propyl]-1-N,2-N-diethyl-3-methylbutane-1,2-diamine
SMILESCCNCC(C(C)C)N(CC)CCCN(CC)CC
InChIInChI=1S/C16H37N3/c1-7-17-14-16(15(5)6)19(10-4)13-11-12-18(8-2)9-3/h15-17H,7-14H2,1-6H3
InChIKeyORQOUYSPDNBTJS-UHFFFAOYSA-N
MW271.49 g/mol
LogP2.67
Rot. Bonds12

About 2-N-[3-(diethylamino)propyl]-1-N,2-N-diethyl-3-methylbutane-1,2-diamine

2-N-[3-(diethylamino)propyl]-1-N,2-N-diethyl-3-methylbutane-1,2-diamine (PubChem CID 102997714) has the molecular formula C16H37N3 and a molecular weight of 271.49 g/mol. Its IUPAC name is 2-N-[3-(diethylamino)propyl]-1-N,2-N-diethyl-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-(diethylamino)propyl]-1-N,2-N-diethyl-3-methylbutane-1,2-diamine
PubChem CID102997714
Molecular FormulaC16H37N3
Molecular Weight271.49 g/mol
Exact Mass271.30
IUPAC Name2-N-[3-(diethylamino)propyl]-1-N,2-N-diethyl-3-methylbutane-1,2-diamine
SMILESCCNCC(C(C)C)N(CC)CCCN(CC)CC
InChIInChI=1S/C16H37N3/c1-7-17-14-16(15(5)6)19(10-4)13-11-12-18(8-2)9-3/h15-17H,7-14H2,1-6H3
InChIKeyORQOUYSPDNBTJS-UHFFFAOYSA-N
XLogP2.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[3-(diethylamino)propyl]-2-N-ethyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 102997666
3-(diethylamino)-4-(ethylamino)butan-2-ol
CID 121467548
(2S)-1-N,2-N,2-N-triethylpropane-1,2-diamine
CID 97170093
1-N,2-N,2-N-triethylpropane-1,2-diamine
CID 18364429
1-N-ethyl-3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 62427552
3-amino-2-[3-(diethylamino)propyl-ethylamino]-4,4-dimethylpentan-1-ol
CID 102992599
1-N-tert-butyl-4-N-[3-(diethylamino)propyl]-4-N-ethylpentane-1,4-diamine
CID 102997720
2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine
CID 62422151
1-N-cyclopropyl-3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbutane-1,3-diamine
CID 102997683
3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-N-propylbutane-2,3-diamine
CID 102992540
N',N'-diethyl-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102905428
2-N-butyl-1-N,2-N-diethylpentane-1,2-diamine
CID 83043720

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(diethylamino)propyl]-1-N,2-N-diethyl-3-methylbutane-1,2-diamine?
The IUPAC name of 2-N-[3-(diethylamino)propyl]-1-N,2-N-diethyl-3-methylbutane-1,2-diamine (CID 102997714) is 2-N-[3-(diethylamino)propyl]-1-N,2-N-diethyl-3-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[3-(diethylamino)propyl]-1-N,2-N-diethyl-3-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-[3-(diethylamino)propyl]-1-N,2-N-diethyl-3-methylbutane-1,2-diamine is CCNCC(C(C)C)N(CC)CCCN(CC)CC.
What is the InChIKey of 2-N-[3-(diethylamino)propyl]-1-N,2-N-diethyl-3-methylbutane-1,2-diamine?
The InChIKey is ORQOUYSPDNBTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N3/c1-7-17-14-16(15(5)6)19(10-4)13-11-12-18(8-2)9-3/h15-17H,7-14H2,1-6H3.
What are the key properties of 2-N-[3-(diethylamino)propyl]-1-N,2-N-diethyl-3-methylbutane-1,2-diamine?
2-N-[3-(diethylamino)propyl]-1-N,2-N-diethyl-3-methylbutane-1,2-diamine has a molecular weight of 271.49 g/mol, XLogP of 2.67, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(diethylamino)propyl]-1-N,2-N-diethyl-3-methylbutane-1,2-diamine is sourced from PubChem (CID 102997714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).