3-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-3-N-propan-2-ylbutane-1,3-diamine

C15H32N2 — CID 62412165

IUPAC3-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-3-N-propan-2-ylbutane-1,3-diamine
SMILESCC(C)CNCCC(C)N(CC1CC1)C(C)C
InChIInChI=1S/C15H32N2/c1-12(2)10-16-9-8-14(5)17(13(3)4)11-15-6-7-15/h12-16H,6-11H2,1-5H3
InChIKeyRQZXDWYYLCZCBP-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds9

About 3-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-3-N-propan-2-ylbutane-1,3-diamine

3-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-3-N-propan-2-ylbutane-1,3-diamine (PubChem CID 62412165) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 3-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-3-N-propan-2-ylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-3-N-propan-2-ylbutane-1,3-diamine
PubChem CID62412165
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name3-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-3-N-propan-2-ylbutane-1,3-diamine
SMILESCC(C)CNCCC(C)N(CC1CC1)C(C)C
InChIInChI=1S/C15H32N2/c1-12(2)10-16-9-8-14(5)17(13(3)4)11-15-6-7-15/h12-16H,6-11H2,1-5H3
InChIKeyRQZXDWYYLCZCBP-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.13
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-pentyl-2-N-propan-2-ylpropane-1,2-diamine
CID 62568200
1-N-(2-methylpropyl)-3-N-propan-2-yl-3-N-propylbutane-1,3-diamine
CID 62421816
4-N-(cyclopropylmethyl)-1-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
CID 62411804
2-N-(cyclopropylmethyl)-1-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 62411973
N'-(cyclopropylmethyl)-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62413388
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63940650
3-N-cyclopropyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine
CID 62420483
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 64520884
3-N-methyl-1-N-(2-methylpropyl)-3-N-(oxan-3-ylmethyl)butane-1,3-diamine
CID 63708130
3-N-(cyclopropylmethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine
CID 63940082
2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentan-1-ol
CID 64826211

Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-3-N-propan-2-ylbutane-1,3-diamine?
The IUPAC name of 3-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-3-N-propan-2-ylbutane-1,3-diamine (CID 62412165) is 3-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-3-N-propan-2-ylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-3-N-propan-2-ylbutane-1,3-diamine?
The canonical SMILES for 3-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-3-N-propan-2-ylbutane-1,3-diamine is CC(C)CNCCC(C)N(CC1CC1)C(C)C.
What is the InChIKey of 3-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-3-N-propan-2-ylbutane-1,3-diamine?
The InChIKey is RQZXDWYYLCZCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-12(2)10-16-9-8-14(5)17(13(3)4)11-15-6-7-15/h12-16H,6-11H2,1-5H3.
What are the key properties of 3-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-3-N-propan-2-ylbutane-1,3-diamine?
3-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-3-N-propan-2-ylbutane-1,3-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-3-N-propan-2-ylbutane-1,3-diamine is sourced from PubChem (CID 62412165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).