N-cyclopropyl-N',2-dimethyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine

C16H34N2 — CID 55056498

IUPACN-cyclopropyl-N',2-dimethyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNC1CC1)CN(C)CCC(C)C
InChIInChI=1S/C16H34N2/c1-6-10-16(4,12-17-15-7-8-15)13-18(5)11-9-14(2)3/h14-15,17H,6-13H2,1-5H3
InChIKeyPFYVOKPOLXHKAJ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds10

About N-cyclopropyl-N',2-dimethyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine

N-cyclopropyl-N',2-dimethyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine (PubChem CID 55056498) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-cyclopropyl-N',2-dimethyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N',2-dimethyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine
PubChem CID55056498
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-cyclopropyl-N',2-dimethyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine
SMILESCCCC(C)(CNC1CC1)CN(C)CCC(C)C
InChIInChI=1S/C16H34N2/c1-6-10-16(4,12-17-15-7-8-15)13-18(5)11-9-14(2)3/h14-15,17H,6-13H2,1-5H3
InChIKeyPFYVOKPOLXHKAJ-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N',2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62263755
N-cyclopropyl-2-ethyl-N',2-dimethyl-N'-propylpropane-1,3-diamine
CID 62263465
N,N'-dicyclopropyl-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62262170
2-[[2-[(cyclopropylamino)methyl]-2-methylpentyl]-propan-2-ylamino]ethanol
CID 62272798
N-[2-methyl-2-[2-(3-methylbutoxy)ethyl]pentyl]cyclopropanamine
CID 55106599
N-cyclopropyl-N'-ethyl-2-methyl-N-(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 78944177
N-cyclopropyl-N'-ethyl-N'-(1-methoxypropan-2-yl)-2-methyl-2-propylpropane-1,3-diamine
CID 55056516
N'-cyclopropyl-2-ethyl-2-methyl-N,N-bis(2-methylpropyl)propane-1,3-diamine
CID 63493471
1-[[2-[(cyclopropylamino)methyl]-2-methylpentyl]-ethylamino]-2-methylpropan-2-ol
CID 79379941
N-[2-methyl-2-[2-(2-methylpropoxy)ethyl]pentyl]cyclopropanamine
CID 106456863
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 78987321
N-[2-methyl-2-(2-propan-2-yloxyethyl)pentyl]cyclopropanamine
CID 62725819

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N',2-dimethyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N',2-dimethyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine (CID 55056498) is N-cyclopropyl-N',2-dimethyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N',2-dimethyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N',2-dimethyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine is CCCC(C)(CNC1CC1)CN(C)CCC(C)C.
What is the InChIKey of N-cyclopropyl-N',2-dimethyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine?
The InChIKey is PFYVOKPOLXHKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-10-16(4,12-17-15-7-8-15)13-18(5)11-9-14(2)3/h14-15,17H,6-13H2,1-5H3.
What are the key properties of N-cyclopropyl-N',2-dimethyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine?
N-cyclopropyl-N',2-dimethyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N',2-dimethyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine is sourced from PubChem (CID 55056498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).