N-methyl-N-pentan-2-yl-1-phenylpropane-1,3-diamine

C15H26N2 — CID 62779701

IUPACN-methyl-N-pentan-2-yl-1-phenylpropane-1,3-diamine
SMILESCCCC(C)N(C)C(CCN)c1ccccc1
InChIInChI=1S/C15H26N2/c1-4-8-13(2)17(3)15(11-12-16)14-9-6-5-7-10-14/h5-7,9-10,13,15H,4,8,11-12,16H2,1-3H3
InChIKeyGNPNAIRRFUONNF-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.20
Rot. Bonds7

About N-methyl-N-pentan-2-yl-1-phenylpropane-1,3-diamine

N-methyl-N-pentan-2-yl-1-phenylpropane-1,3-diamine (PubChem CID 62779701) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-methyl-N-pentan-2-yl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N-pentan-2-yl-1-phenylpropane-1,3-diamine
PubChem CID62779701
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-methyl-N-pentan-2-yl-1-phenylpropane-1,3-diamine
SMILESCCCC(C)N(C)C(CCN)c1ccccc1
InChIInChI=1S/C15H26N2/c1-4-8-13(2)17(3)15(11-12-16)14-9-6-5-7-10-14/h5-7,9-10,13,15H,4,8,11-12,16H2,1-3H3
InChIKeyGNPNAIRRFUONNF-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62778521
N-methyl-1-(4-methylphenyl)-N-pentan-2-ylethane-1,2-diamine
CID 43571950
1-[(3-amino-1-phenylpropyl)-methylamino]propan-2-ol
CID 62779714
1-[4-(difluoromethyl)phenyl]-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 115524252
pentan-2-ylbenzene
CID 17627
1-(3,4-difluorophenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571841
N-methyl-N-(4-methylcyclohexyl)-1-phenylpropane-1,3-diamine
CID 62778531
2-[methyl(pentan-2-yl)amino]-2-phenylacetohydrazide
CID 63571994
N-methyl-N-(oxan-4-yl)-1-phenylpropane-1,3-diamine
CID 62779870
2-[(3-amino-1-phenylpropyl)-methylamino]acetamide
CID 62780025
N-benzhydryl-N-pentan-2-ylpentan-2-amine
CID 175505077
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571844

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pentan-2-yl-1-phenylpropane-1,3-diamine?
The IUPAC name of N-methyl-N-pentan-2-yl-1-phenylpropane-1,3-diamine (CID 62779701) is N-methyl-N-pentan-2-yl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N-methyl-N-pentan-2-yl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N-methyl-N-pentan-2-yl-1-phenylpropane-1,3-diamine is CCCC(C)N(C)C(CCN)c1ccccc1.
What is the InChIKey of N-methyl-N-pentan-2-yl-1-phenylpropane-1,3-diamine?
The InChIKey is GNPNAIRRFUONNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-8-13(2)17(3)15(11-12-16)14-9-6-5-7-10-14/h5-7,9-10,13,15H,4,8,11-12,16H2,1-3H3.
What are the key properties of N-methyl-N-pentan-2-yl-1-phenylpropane-1,3-diamine?
N-methyl-N-pentan-2-yl-1-phenylpropane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pentan-2-yl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 62779701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).