4-N-(cyclopropylmethyl)-1-N-methyl-4-N-propan-2-ylpentane-1,4-diamine

C13H28N2 — CID 62411804

IUPAC4-N-(cyclopropylmethyl)-1-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
SMILESCNCCCC(C)N(CC1CC1)C(C)C
InChIInChI=1S/C13H28N2/c1-11(2)15(10-13-7-8-13)12(3)6-5-9-14-4/h11-14H,5-10H2,1-4H3
InChIKeyAENUYTPWZUXWME-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds8

About 4-N-(cyclopropylmethyl)-1-N-methyl-4-N-propan-2-ylpentane-1,4-diamine

4-N-(cyclopropylmethyl)-1-N-methyl-4-N-propan-2-ylpentane-1,4-diamine (PubChem CID 62411804) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)-1-N-methyl-4-N-propan-2-ylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-1-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
PubChem CID62411804
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name4-N-(cyclopropylmethyl)-1-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
SMILESCNCCCC(C)N(CC1CC1)C(C)C
InChIInChI=1S/C13H28N2/c1-11(2)15(10-13-7-8-13)12(3)6-5-9-14-4/h11-14H,5-10H2,1-4H3
InChIKeyAENUYTPWZUXWME-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-4-N-propan-2-ylpentane-1,4-diamine
CID 62412162
2-N-(cyclopropylmethyl)-1-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 62411973
3-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-3-N-propan-2-ylbutane-1,3-diamine
CID 62412165
4-N-(cyclobutylmethyl)-4-N-ethyl-1-N-methylpentane-1,4-diamine
CID 107402116
1-N,4-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,4-diamine
CID 63234641
2-N-(cyclopropylmethyl)-1-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
CID 62568200
1-N,4-N-dimethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,4-diamine
CID 63274281
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylpentan-1-amine
CID 62431308
1-N-methyl-4-N,4-N-dipropylpentane-1,4-diamine
CID 62423084
1-N,4-N-dimethyl-4-N-pentan-2-ylpentane-1,4-diamine
CID 62432184
4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)-1-N-methylpentane-1,4-diamine
CID 62448202
4-N-(cyclobutylmethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62856942

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)-1-N-methyl-4-N-propan-2-ylpentane-1,4-diamine?
The IUPAC name of 4-N-(cyclopropylmethyl)-1-N-methyl-4-N-propan-2-ylpentane-1,4-diamine (CID 62411804) is 4-N-(cyclopropylmethyl)-1-N-methyl-4-N-propan-2-ylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-1-N-methyl-4-N-propan-2-ylpentane-1,4-diamine?
The canonical SMILES for 4-N-(cyclopropylmethyl)-1-N-methyl-4-N-propan-2-ylpentane-1,4-diamine is CNCCCC(C)N(CC1CC1)C(C)C.
What is the InChIKey of 4-N-(cyclopropylmethyl)-1-N-methyl-4-N-propan-2-ylpentane-1,4-diamine?
The InChIKey is AENUYTPWZUXWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-11(2)15(10-13-7-8-13)12(3)6-5-9-14-4/h11-14H,5-10H2,1-4H3.
What are the key properties of 4-N-(cyclopropylmethyl)-1-N-methyl-4-N-propan-2-ylpentane-1,4-diamine?
4-N-(cyclopropylmethyl)-1-N-methyl-4-N-propan-2-ylpentane-1,4-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)-1-N-methyl-4-N-propan-2-ylpentane-1,4-diamine is sourced from PubChem (CID 62411804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).