1-N-cyclopropyl-3-N-ethylbutane-1,3-diamine

C9H20N2 — CID 62832769

IUPAC1-N-cyclopropyl-3-N-ethylbutane-1,3-diamine
SMILESCCNC(C)CCNC1CC1
InChIInChI=1S/C9H20N2/c1-3-10-8(2)6-7-11-9-4-5-9/h8-11H,3-7H2,1-2H3
InChIKeyMHVQHKXXVLBGIF-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.13
Rot. Bonds6

About 1-N-cyclopropyl-3-N-ethylbutane-1,3-diamine

1-N-cyclopropyl-3-N-ethylbutane-1,3-diamine (PubChem CID 62832769) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-N-cyclopropyl-3-N-ethylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-3-N-ethylbutane-1,3-diamine
PubChem CID62832769
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-N-cyclopropyl-3-N-ethylbutane-1,3-diamine
SMILESCCNC(C)CCNC1CC1
InChIInChI=1S/C9H20N2/c1-3-10-8(2)6-7-11-9-4-5-9/h8-11H,3-7H2,1-2H3
InChIKeyMHVQHKXXVLBGIF-UHFFFAOYSA-N
XLogP1.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-2-methylbutane-1,4-diamine
CID 79001550
3-N-butan-2-yl-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine
CID 62416971
N-(3-methyloctyl)cyclopropanamine
CID 81018953
N,N'-dicyclopropyl-4-methylheptane-1,7-diamine
CID 66322125
N-(3-methylpentadecyl)cyclopropanamine
CID 81020007
1-N-cyclopropyl-3-N-methyl-3-N-propylbutane-1,3-diamine
CID 62418497
N-(4-methylhexyl)cyclopropanamine
CID 62529631
1-N-cyclopropyl-3-N-(2-ethoxyethyl)-3-N-methylbutane-1,3-diamine
CID 81074188
1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine
CID 62418784
N'-butan-2-yl-N-cyclohexylethane-1,2-diamine
CID 44630792
1-N-cyclopropyl-3-N,3-N-bis(prop-2-enyl)butane-1,3-diamine
CID 62439541
N-ethyl-5-methylhexan-2-amine
CID 24689543

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-3-N-ethylbutane-1,3-diamine?
The IUPAC name of 1-N-cyclopropyl-3-N-ethylbutane-1,3-diamine (CID 62832769) is 1-N-cyclopropyl-3-N-ethylbutane-1,3-diamine.
What is the SMILES notation for 1-N-cyclopropyl-3-N-ethylbutane-1,3-diamine?
The canonical SMILES for 1-N-cyclopropyl-3-N-ethylbutane-1,3-diamine is CCNC(C)CCNC1CC1.
What is the InChIKey of 1-N-cyclopropyl-3-N-ethylbutane-1,3-diamine?
The InChIKey is MHVQHKXXVLBGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-3-10-8(2)6-7-11-9-4-5-9/h8-11H,3-7H2,1-2H3.
What are the key properties of 1-N-cyclopropyl-3-N-ethylbutane-1,3-diamine?
1-N-cyclopropyl-3-N-ethylbutane-1,3-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-3-N-ethylbutane-1,3-diamine is sourced from PubChem (CID 62832769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).