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

C17H37N3 — CID 102997683

IUPAC1-N-cyclopropyl-3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbutane-1,3-diamine
SMILESCCN(CC)CCCN(CC)C(C)C(C)CNC1CC1
InChIInChI=1S/C17H37N3/c1-6-19(7-2)12-9-13-20(8-3)16(5)15(4)14-18-17-10-11-17/h15-18H,6-14H2,1-5H3
InChIKeyDCHSZIFWIFZQAP-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.82
Rot. Bonds12

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

1-N-cyclopropyl-3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbutane-1,3-diamine (PubChem CID 102997683) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is 1-N-cyclopropyl-3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbutane-1,3-diamine
PubChem CID102997683
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC Name1-N-cyclopropyl-3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbutane-1,3-diamine
SMILESCCN(CC)CCCN(CC)C(C)C(C)CNC1CC1
InChIInChI=1S/C17H37N3/c1-6-19(7-2)12-9-13-20(8-3)16(5)15(4)14-18-17-10-11-17/h15-18H,6-14H2,1-5H3
InChIKeyDCHSZIFWIFZQAP-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-butyl-1-N-cyclopropyl-2-N-ethylpropane-1,2-diamine
CID 62424980
1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 79408928
1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine
CID 79414266
N-cyclopropyl-N',N'-diethylpropane-1,3-diamine
CID 60866749
N-cyclopropyl-N',N'-diethylpentane-1,5-diamine
CID 62438484
1-N-cyclopropyl-2-methyl-3-N,3-N-bis(prop-2-enyl)butane-1,3-diamine
CID 79413811
3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-N-propylbutane-2,3-diamine
CID 102992540
N-butyl-N'-cyclopropyl-N-ethyl-1-phenylethane-1,2-diamine
CID 55069938
4-N-cyclopropyl-1-N,1-N-diethylpentane-1,4-diamine
CID 103438826
2-N-[3-(diethylamino)propyl]-2-N-ethyl-3-N-propylpentane-2,3-diamine
CID 102992527
1-N-cyclopropyl-2-N-ethyl-2-N-(2-methylbutyl)propane-1,2-diamine
CID 79482589
2-(cyclopropylamino)-N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide
CID 106059732

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbutane-1,3-diamine?
The IUPAC name of 1-N-cyclopropyl-3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbutane-1,3-diamine (CID 102997683) is 1-N-cyclopropyl-3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbutane-1,3-diamine.
What is the SMILES notation for 1-N-cyclopropyl-3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbutane-1,3-diamine?
The canonical SMILES for 1-N-cyclopropyl-3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbutane-1,3-diamine is CCN(CC)CCCN(CC)C(C)C(C)CNC1CC1.
What is the InChIKey of 1-N-cyclopropyl-3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbutane-1,3-diamine?
The InChIKey is DCHSZIFWIFZQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-6-19(7-2)12-9-13-20(8-3)16(5)15(4)14-18-17-10-11-17/h15-18H,6-14H2,1-5H3.
What are the key properties of 1-N-cyclopropyl-3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbutane-1,3-diamine?
1-N-cyclopropyl-3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbutane-1,3-diamine has a molecular weight of 283.50 g/mol, XLogP of 2.82, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbutane-1,3-diamine is sourced from PubChem (CID 102997683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).