N-(1-cyclobutylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine

C12H26N2 — CID 115705382

IUPACN-(1-cyclobutylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCC(CC1CCC1)NCCCN(C)C
InChIInChI=1S/C12H26N2/c1-11(10-12-6-4-7-12)13-8-5-9-14(2)3/h11-13H,4-10H2,1-3H3
InChIKeyADQXZXDPVBZKGN-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.11
Rot. Bonds7

About N-(1-cyclobutylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine

N-(1-cyclobutylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 115705382) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-(1-cyclobutylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(1-cyclobutylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID115705382
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-(1-cyclobutylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCC(CC1CCC1)NCCCN(C)C
InChIInChI=1S/C12H26N2/c1-11(10-12-6-4-7-12)13-8-5-9-14(2)3/h11-13H,4-10H2,1-3H3
InChIKeyADQXZXDPVBZKGN-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

N-(1-cyclohexylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 165494361
1-cyclobutyl-N-(3-methylsulfonylpropyl)propan-2-amine
CID 115716722
N-(1-cyclobutylpropan-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 115726252
N-[3-(1-cyclobutylpropan-2-ylamino)propyl]methanesulfonamide
CID 115708208
1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine
CID 115890825
tert-butyl N-[3-(1-cyclobutylpropan-2-ylamino)propyl]-N-cyclopropylcarbamate
CID 107242908
N'-(1-cyclopropylpropan-2-yl)-N-methylpropane-1,3-diamine
CID 91064038
N-(1-cyclopropylpropan-2-yl)-4-methylpentan-1-amine
CID 81300289
N'-benzyl-N-(1-cyclopropylpropan-2-yl)-N'-methylpropane-1,3-diamine
CID 115707813
N',N'-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1,3-diamine
CID 114525110
1-cyclopentyl-3-[3-(dimethylamino)propylamino]propan-2-ol
CID 103157144
CID 163832582
CID 163832582

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(1-cyclobutylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine (CID 115705382) is N-(1-cyclobutylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(1-cyclobutylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(1-cyclobutylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine is CC(CC1CCC1)NCCCN(C)C.
What is the InChIKey of N-(1-cyclobutylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is ADQXZXDPVBZKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(10-12-6-4-7-12)13-8-5-9-14(2)3/h11-13H,4-10H2,1-3H3.
What are the key properties of N-(1-cyclobutylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(1-cyclobutylpropan-2-yl)-N',N'-dimethylpropane-1,3-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 N-(1-cyclobutylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115705382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).