2-N-(cyclobutylmethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine

C12H22N2 — CID 62856951

IUPAC2-N-(cyclobutylmethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
SMILESC#CCNCC(C)N(C)CC1CCC1
InChIInChI=1S/C12H22N2/c1-4-8-13-9-11(2)14(3)10-12-6-5-7-12/h1,11-13H,5-10H2,2-3H3
InChIKeyOTABNDKSQZVFCR-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.33
Rot. Bonds6

About 2-N-(cyclobutylmethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine

2-N-(cyclobutylmethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine (PubChem CID 62856951) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-N-(cyclobutylmethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclobutylmethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
PubChem CID62856951
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-N-(cyclobutylmethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
SMILESC#CCNCC(C)N(C)CC1CCC1
InChIInChI=1S/C12H22N2/c1-4-8-13-9-11(2)14(3)10-12-6-5-7-12/h1,11-13H,5-10H2,2-3H3
InChIKeyOTABNDKSQZVFCR-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-(cyclobutylmethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 62854576
2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63655708
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 63940866
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
1-N-cyclohexyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
CID 62568908
(2R)-2-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 131200890
1-N-butan-2-yl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
CID 62568202
3-N-(cyclobutylmethyl)-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine
CID 79409276
2-N-(2-methoxyethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 62569259
4-N-(cyclobutylmethyl)-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62856942
2-[cyclohexylmethyl(methyl)amino]propan-1-ol
CID 115772276

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclobutylmethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine?
The IUPAC name of 2-N-(cyclobutylmethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine (CID 62856951) is 2-N-(cyclobutylmethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclobutylmethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine?
The canonical SMILES for 2-N-(cyclobutylmethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine is C#CCNCC(C)N(C)CC1CCC1.
What is the InChIKey of 2-N-(cyclobutylmethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine?
The InChIKey is OTABNDKSQZVFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-8-13-9-11(2)14(3)10-12-6-5-7-12/h1,11-13H,5-10H2,2-3H3.
What are the key properties of 2-N-(cyclobutylmethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine?
2-N-(cyclobutylmethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine has a molecular weight of 194.32 g/mol, XLogP of 1.33, 6 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-prop-2-ynylpropane-1,2-diamine is sourced from PubChem (CID 62856951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).