3-N-(cyclopropylmethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine

C13H28N2 — CID 63940082

IUPAC3-N-(cyclopropylmethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine
SMILESCCCNCCC(C)N(CC)CC1CC1
InChIInChI=1S/C13H28N2/c1-4-9-14-10-8-12(3)15(5-2)11-13-6-7-13/h12-14H,4-11H2,1-3H3
InChIKeyYLFJVZREMXPHFZ-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds9

About 3-N-(cyclopropylmethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine

3-N-(cyclopropylmethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine (PubChem CID 63940082) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-N-(cyclopropylmethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(cyclopropylmethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine
PubChem CID63940082
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name3-N-(cyclopropylmethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine
SMILESCCCNCCC(C)N(CC)CC1CC1
InChIInChI=1S/C13H28N2/c1-4-9-14-10-8-12(3)15(5-2)11-13-6-7-13/h12-14H,4-11H2,1-3H3
InChIKeyYLFJVZREMXPHFZ-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.50
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

2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-propylpropane-1,2-diamine
CID 63938140
2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-N-propylbutane-1,2-diamine
CID 63938154
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63940650
4-N-(cyclobutylmethyl)-4-N-ethyl-1-N-methylpentane-1,4-diamine
CID 107402116
3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine
CID 55073718
3-N-ethyl-3-N-(2-methylprop-2-enyl)-1-N-propylbutane-1,3-diamine
CID 62417278
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 63940866
1-N-butyl-2-N-(cyclobutylmethyl)-2-N-ethylpropane-1,2-diamine
CID 107402162
3-N-(2-ethoxyethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine
CID 63692329
N'-(cyclopropylmethyl)-N'-methyl-N-propylethane-1,2-diamine
CID 61387224
4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanamide
CID 64705483
4-N-(cyclohexylmethyl)-4-N-methyl-1-N-propylpentane-1,4-diamine
CID 62412201

Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclopropylmethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine?
The IUPAC name of 3-N-(cyclopropylmethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine (CID 63940082) is 3-N-(cyclopropylmethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(cyclopropylmethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine?
The canonical SMILES for 3-N-(cyclopropylmethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine is CCCNCCC(C)N(CC)CC1CC1.
What is the InChIKey of 3-N-(cyclopropylmethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine?
The InChIKey is YLFJVZREMXPHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-9-14-10-8-12(3)15(5-2)11-13-6-7-13/h12-14H,4-11H2,1-3H3.
What are the key properties of 3-N-(cyclopropylmethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine?
3-N-(cyclopropylmethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclopropylmethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine is sourced from PubChem (CID 63940082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).