1-N-(cyclopropylmethyl)-3-methylpentane-1,2-diamine

C10H22N2 — CID 61150629

IUPAC1-N-(cyclopropylmethyl)-3-methylpentane-1,2-diamine
SMILESCCC(C)C(N)CNCC1CC1
InChIInChI=1S/C10H22N2/c1-3-8(2)10(11)7-12-6-9-4-5-9/h8-10,12H,3-7,11H2,1-2H3
InChIKeyVHZUQWIVQAMFHD-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.36
Rot. Bonds6

About 1-N-(cyclopropylmethyl)-3-methylpentane-1,2-diamine

1-N-(cyclopropylmethyl)-3-methylpentane-1,2-diamine (PubChem CID 61150629) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-N-(cyclopropylmethyl)-3-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(cyclopropylmethyl)-3-methylpentane-1,2-diamine
PubChem CID61150629
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-N-(cyclopropylmethyl)-3-methylpentane-1,2-diamine
SMILESCCC(C)C(N)CNCC1CC1
InChIInChI=1S/C10H22N2/c1-3-8(2)10(11)7-12-6-9-4-5-9/h8-10,12H,3-7,11H2,1-2H3
InChIKeyVHZUQWIVQAMFHD-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-methyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine
CID 68721418
1-cyclopropyl-3-methylpentan-2-amine
CID 64904257
1-N-(cyclopentylmethyl)propane-1,2-diamine
CID 115196604
1-N-cycloheptyl-3-methylpentane-1,2-diamine
CID 61150855
2-cyclopropyl-N-(cyclopropylmethyl)propan-1-amine
CID 78921560
N-(cyclopentylmethyl)-2-methylbutan-1-amine
CID 43370775
1-N-(2,2-dimethylpropyl)-3-methylpentane-1,2-diamine
CID 61168462
1-N-(cyclopropylmethyl)-2-N-ethylpropane-1,2-diamine
CID 123270508
N-(cyclopropylmethyl)-2-methoxypropan-1-amine
CID 91623791
2-N-[[4-[(2-aminopropylamino)methyl]cyclohexyl]methyl]propane-1,2-diamine
CID 118876014
N-(cyclopentylmethyl)-2-ethylbutan-1-amine
CID 43317342
1-N-(cyclopropylmethyl)butane-1,3-diamine
CID 61151017

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopropylmethyl)-3-methylpentane-1,2-diamine?
The IUPAC name of 1-N-(cyclopropylmethyl)-3-methylpentane-1,2-diamine (CID 61150629) is 1-N-(cyclopropylmethyl)-3-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(cyclopropylmethyl)-3-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-(cyclopropylmethyl)-3-methylpentane-1,2-diamine is CCC(C)C(N)CNCC1CC1.
What is the InChIKey of 1-N-(cyclopropylmethyl)-3-methylpentane-1,2-diamine?
The InChIKey is VHZUQWIVQAMFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-3-8(2)10(11)7-12-6-9-4-5-9/h8-10,12H,3-7,11H2,1-2H3.
What are the key properties of 1-N-(cyclopropylmethyl)-3-methylpentane-1,2-diamine?
1-N-(cyclopropylmethyl)-3-methylpentane-1,2-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclopropylmethyl)-3-methylpentane-1,2-diamine is sourced from PubChem (CID 61150629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).