1-N-butyl-2-N-(cyclobutylmethyl)-2-N-ethylpropane-1,2-diamine

C14H30N2 — CID 107402162

IUPAC1-N-butyl-2-N-(cyclobutylmethyl)-2-N-ethylpropane-1,2-diamine
SMILESCCCCNCC(C)N(CC)CC1CCC1
InChIInChI=1S/C14H30N2/c1-4-6-10-15-11-13(3)16(5-2)12-14-8-7-9-14/h13-15H,4-12H2,1-3H3
InChIKeyQBDHELWLFJWVQL-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds9

About 1-N-butyl-2-N-(cyclobutylmethyl)-2-N-ethylpropane-1,2-diamine

1-N-butyl-2-N-(cyclobutylmethyl)-2-N-ethylpropane-1,2-diamine (PubChem CID 107402162) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-N-butyl-2-N-(cyclobutylmethyl)-2-N-ethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-butyl-2-N-(cyclobutylmethyl)-2-N-ethylpropane-1,2-diamine
PubChem CID107402162
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-N-butyl-2-N-(cyclobutylmethyl)-2-N-ethylpropane-1,2-diamine
SMILESCCCCNCC(C)N(CC)CC1CCC1
InChIInChI=1S/C14H30N2/c1-4-6-10-15-11-13(3)16(5-2)12-14-8-7-9-14/h13-15H,4-12H2,1-3H3
InChIKeyQBDHELWLFJWVQL-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
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
1-N-butyl-2-N-(cyclopropylmethyl)-2-N-propylpropane-1,2-diamine
CID 62568153
1-N-butyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
CID 62568386
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63940650
2-N-(cyclohexylmethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 63502062
4-N-(cyclobutylmethyl)-4-N-ethyl-1-N-methylpentane-1,4-diamine
CID 107402116
2-N-(cyclobutylmethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 62854576
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 63940866
2-N-(cyclopropylmethyl)-1-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
CID 62568200
2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-N-propylbutane-1,2-diamine
CID 63938154
3-N-(cyclopropylmethyl)-3-N-ethyl-1-N-propylbutane-1,3-diamine
CID 63940082
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 63939905

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-2-N-(cyclobutylmethyl)-2-N-ethylpropane-1,2-diamine?
The IUPAC name of 1-N-butyl-2-N-(cyclobutylmethyl)-2-N-ethylpropane-1,2-diamine (CID 107402162) is 1-N-butyl-2-N-(cyclobutylmethyl)-2-N-ethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-butyl-2-N-(cyclobutylmethyl)-2-N-ethylpropane-1,2-diamine?
The canonical SMILES for 1-N-butyl-2-N-(cyclobutylmethyl)-2-N-ethylpropane-1,2-diamine is CCCCNCC(C)N(CC)CC1CCC1.
What is the InChIKey of 1-N-butyl-2-N-(cyclobutylmethyl)-2-N-ethylpropane-1,2-diamine?
The InChIKey is QBDHELWLFJWVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-6-10-15-11-13(3)16(5-2)12-14-8-7-9-14/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-N-butyl-2-N-(cyclobutylmethyl)-2-N-ethylpropane-1,2-diamine?
1-N-butyl-2-N-(cyclobutylmethyl)-2-N-ethylpropane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-2-N-(cyclobutylmethyl)-2-N-ethylpropane-1,2-diamine is sourced from PubChem (CID 107402162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).