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

C10H22N2 — CID 81079659

IUPACN'-cyclopropyl-N'-ethyl-2-methylbutane-1,4-diamine
SMILESCCN(CCC(C)CN)C1CC1
InChIInChI=1S/C10H22N2/c1-3-12(10-4-5-10)7-6-9(2)8-11/h9-10H,3-8,11H2,1-2H3
InChIKeySZSFZGXOOPKJMC-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.46
Rot. Bonds6

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

N'-cyclopropyl-N'-ethyl-2-methylbutane-1,4-diamine (PubChem CID 81079659) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N'-cyclopropyl-N'-ethyl-2-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-ethyl-2-methylbutane-1,4-diamine
PubChem CID81079659
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN'-cyclopropyl-N'-ethyl-2-methylbutane-1,4-diamine
SMILESCCN(CCC(C)CN)C1CC1
InChIInChI=1S/C10H22N2/c1-3-12(10-4-5-10)7-6-9(2)8-11/h9-10H,3-8,11H2,1-2H3
InChIKeySZSFZGXOOPKJMC-UHFFFAOYSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78973832
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 82684072
N-ethyl-N-(3-methylpentyl)cyclohexanamine
CID 142032540
N'-ethyl-N',2-dimethylbutane-1,4-diamine
CID 81079542
N'-cyclopropyl-2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 81080018
N'-cyclopropyl-2-ethyl-N'-propylbutane-1,4-diamine
CID 81080581
4-[cyclopropyl(ethyl)amino]-2-(methylamino)butanamide
CID 63029394
N'-butyl-N'-cyclopropyl-2-methoxybutane-1,4-diamine
CID 103152316
1-N-cyclopropyl-1-N-ethyl-3-N,4,4-trimethylpentane-1,3-diamine
CID 62624071
1-[cyclopentyl(ethyl)amino]-4,4-dimethylpentan-3-ol
CID 62624455
N-(3,4-dimethylpentyl)-N-ethyloxan-4-amine
CID 142101487
1-amino-4-[butyl(cyclopropyl)amino]butan-2-ol
CID 64819553

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-ethyl-2-methylbutane-1,4-diamine?
The IUPAC name of N'-cyclopropyl-N'-ethyl-2-methylbutane-1,4-diamine (CID 81079659) is N'-cyclopropyl-N'-ethyl-2-methylbutane-1,4-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-ethyl-2-methylbutane-1,4-diamine?
The canonical SMILES for N'-cyclopropyl-N'-ethyl-2-methylbutane-1,4-diamine is CCN(CCC(C)CN)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-ethyl-2-methylbutane-1,4-diamine?
The InChIKey is SZSFZGXOOPKJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-3-12(10-4-5-10)7-6-9(2)8-11/h9-10H,3-8,11H2,1-2H3.
What are the key properties of N'-cyclopropyl-N'-ethyl-2-methylbutane-1,4-diamine?
N'-cyclopropyl-N'-ethyl-2-methylbutane-1,4-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-ethyl-2-methylbutane-1,4-diamine is sourced from PubChem (CID 81079659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).