2-cyclopropyl-2-N-[3-(dimethylamino)propyl]-2-N-ethylbutane-1,2-diamine

C14H31N3 — CID 102991867

IUPAC2-cyclopropyl-2-N-[3-(dimethylamino)propyl]-2-N-ethylbutane-1,2-diamine
SMILESCCN(CCCN(C)C)C(CC)(CN)C1CC1
InChIInChI=1S/C14H31N3/c1-5-14(12-15,13-8-9-13)17(6-2)11-7-10-16(3)4/h13H,5-12,15H2,1-4H3
InChIKeyQZTNSPBAFCOMDK-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.78
Rot. Bonds9

About 2-cyclopropyl-2-N-[3-(dimethylamino)propyl]-2-N-ethylbutane-1,2-diamine

2-cyclopropyl-2-N-[3-(dimethylamino)propyl]-2-N-ethylbutane-1,2-diamine (PubChem CID 102991867) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-cyclopropyl-2-N-[3-(dimethylamino)propyl]-2-N-ethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-2-N-[3-(dimethylamino)propyl]-2-N-ethylbutane-1,2-diamine
PubChem CID102991867
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name2-cyclopropyl-2-N-[3-(dimethylamino)propyl]-2-N-ethylbutane-1,2-diamine
SMILESCCN(CCCN(C)C)C(CC)(CN)C1CC1
InChIInChI=1S/C14H31N3/c1-5-14(12-15,13-8-9-13)17(6-2)11-7-10-16(3)4/h13H,5-12,15H2,1-4H3
InChIKeyQZTNSPBAFCOMDK-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[3-(dimethylamino)propyl]-2-methyl-2-N-propylbutane-1,2-diamine
CID 114524991
2-[3-(dimethylamino)propyl-ethylamino]propan-2-ol
CID 174855893
2-N,2-dicyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 79001491
2-cyclopropyl-2-N-methyl-2-N-(3-methylcyclohexyl)butane-1,2-diamine
CID 64917822
2-cyclopropyl-2-N-methyl-2-N-(3-methylphenyl)butane-1,2-diamine
CID 64918033
2-cyclopropyl-2-N-ethyl-2-N-(2-methylphenyl)butane-1,2-diamine
CID 64917816
2-cyclopropyl-2-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 64919535
2-cyclopropyl-2-N-methyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
CID 114276025
2-N-(cyclobutylmethyl)-2-N,2-diethylbutane-1,2-diamine
CID 65459394
1,1-di(cyclobutyl)-N-ethyl-N-propylethane-1,2-diamine
CID 112743289
2-N,2-diethyl-2-N-pentylbutane-1,2-diamine
CID 62008795
N'-cyclopropyl-N'-[3-(dimethylamino)propyl]propane-1,3-diamine
CID 114524959

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-N-[3-(dimethylamino)propyl]-2-N-ethylbutane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-2-N-[3-(dimethylamino)propyl]-2-N-ethylbutane-1,2-diamine (CID 102991867) is 2-cyclopropyl-2-N-[3-(dimethylamino)propyl]-2-N-ethylbutane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-2-N-[3-(dimethylamino)propyl]-2-N-ethylbutane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-2-N-[3-(dimethylamino)propyl]-2-N-ethylbutane-1,2-diamine is CCN(CCCN(C)C)C(CC)(CN)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-N-[3-(dimethylamino)propyl]-2-N-ethylbutane-1,2-diamine?
The InChIKey is QZTNSPBAFCOMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-5-14(12-15,13-8-9-13)17(6-2)11-7-10-16(3)4/h13H,5-12,15H2,1-4H3.
What are the key properties of 2-cyclopropyl-2-N-[3-(dimethylamino)propyl]-2-N-ethylbutane-1,2-diamine?
2-cyclopropyl-2-N-[3-(dimethylamino)propyl]-2-N-ethylbutane-1,2-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-N-[3-(dimethylamino)propyl]-2-N-ethylbutane-1,2-diamine is sourced from PubChem (CID 102991867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).