2-N-(cyclobutylmethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine

C12H26N2 — CID 62854576

IUPAC2-N-(cyclobutylmethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
SMILESCCCNCC(C)N(C)CC1CCC1
InChIInChI=1S/C12H26N2/c1-4-8-13-9-11(2)14(3)10-12-6-5-7-12/h11-13H,4-10H2,1-3H3
InChIKeyHWYFGMWYCYTQLP-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds7

About 2-N-(cyclobutylmethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine

2-N-(cyclobutylmethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine (PubChem CID 62854576) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-N-(cyclobutylmethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclobutylmethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
PubChem CID62854576
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-N-(cyclobutylmethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
SMILESCCCNCC(C)N(C)CC1CCC1
InChIInChI=1S/C12H26N2/c1-4-8-13-9-11(2)14(3)10-12-6-5-7-12/h11-13H,4-10H2,1-3H3
InChIKeyHWYFGMWYCYTQLP-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.11
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

1-N-butyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
CID 62568386
2-N-(cyclohexylmethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 63502062
3-N-(cyclopentylmethyl)-3-N,2-dimethyl-1-N-propylbutane-1,3-diamine
CID 79408443
2-N-(cyclobutylmethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 62856951
2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63655708
4-N-(cyclohexylmethyl)-4-N-methyl-1-N-propylpentane-1,4-diamine
CID 62412201
2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpropane-1,2-diamine
CID 79313498
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-propylpropane-1,2-diamine
CID 63938140
2-N-cycloheptyl-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 62433683
1-N-cyclohexyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
CID 62568908
1-N-butyl-2-N-(cyclobutylmethyl)-2-N-ethylpropane-1,2-diamine
CID 107402162
(2R)-2-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 131200890

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclobutylmethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine?
The IUPAC name of 2-N-(cyclobutylmethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine (CID 62854576) is 2-N-(cyclobutylmethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclobutylmethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine?
The canonical SMILES for 2-N-(cyclobutylmethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine is CCCNCC(C)N(C)CC1CCC1.
What is the InChIKey of 2-N-(cyclobutylmethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine?
The InChIKey is HWYFGMWYCYTQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-8-13-9-11(2)14(3)10-12-6-5-7-12/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-N-(cyclobutylmethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine?
2-N-(cyclobutylmethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclobutylmethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine is sourced from PubChem (CID 62854576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).