N'-cyclopropyl-2-ethyl-N'-propylbutane-1,4-diamine

C12H26N2 — CID 81080581

IUPACN'-cyclopropyl-2-ethyl-N'-propylbutane-1,4-diamine
SMILESCCCN(CCC(CC)CN)C1CC1
InChIInChI=1S/C12H26N2/c1-3-8-14(12-5-6-12)9-7-11(4-2)10-13/h11-12H,3-10,13H2,1-2H3
InChIKeyBXHUGIMHBCZCML-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.24
Rot. Bonds8

About N'-cyclopropyl-2-ethyl-N'-propylbutane-1,4-diamine

N'-cyclopropyl-2-ethyl-N'-propylbutane-1,4-diamine (PubChem CID 81080581) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-cyclopropyl-2-ethyl-N'-propylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-2-ethyl-N'-propylbutane-1,4-diamine
PubChem CID81080581
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-cyclopropyl-2-ethyl-N'-propylbutane-1,4-diamine
SMILESCCCN(CCC(CC)CN)C1CC1
InChIInChI=1S/C12H26N2/c1-3-8-14(12-5-6-12)9-7-11(4-2)10-13/h11-12H,3-10,13H2,1-2H3
InChIKeyBXHUGIMHBCZCML-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 81080018
N'-(cyclopropylmethyl)-2-ethyl-N'-propylbutane-1,4-diamine
CID 81079900
1-amino-4-[butyl(cyclopropyl)amino]butan-2-ol
CID 64819553
N'-cyclopropyl-N'-propyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366118
N'-butyl-N'-cyclopropyl-2-methoxybutane-1,4-diamine
CID 103152316
N'-(4-ethylcyclohexyl)-N'-propylethane-1,2-diamine
CID 64747486
N'-cyclopropyl-N'-ethyl-2-methylbutane-1,4-diamine
CID 81079659
2-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]butane-1,4-diamine
CID 81079802
N'-cyclohexyl-N'-propylethane-1,2-diamine
CID 61348599
2-ethyl-N'-methyl-N'-(2-methylsulfanylethyl)butane-1,4-diamine
CID 112660772
N,N-dipropylcyclodecanamine
CID 139723962
N'-(1,1-dioxothiolan-3-yl)-2-ethyl-N'-methylbutane-1,4-diamine
CID 81080824

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-2-ethyl-N'-propylbutane-1,4-diamine?
The IUPAC name of N'-cyclopropyl-2-ethyl-N'-propylbutane-1,4-diamine (CID 81080581) is N'-cyclopropyl-2-ethyl-N'-propylbutane-1,4-diamine.
What is the SMILES notation for N'-cyclopropyl-2-ethyl-N'-propylbutane-1,4-diamine?
The canonical SMILES for N'-cyclopropyl-2-ethyl-N'-propylbutane-1,4-diamine is CCCN(CCC(CC)CN)C1CC1.
What is the InChIKey of N'-cyclopropyl-2-ethyl-N'-propylbutane-1,4-diamine?
The InChIKey is BXHUGIMHBCZCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-8-14(12-5-6-12)9-7-11(4-2)10-13/h11-12H,3-10,13H2,1-2H3.
What are the key properties of N'-cyclopropyl-2-ethyl-N'-propylbutane-1,4-diamine?
N'-cyclopropyl-2-ethyl-N'-propylbutane-1,4-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-2-ethyl-N'-propylbutane-1,4-diamine is sourced from PubChem (CID 81080581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).