N-benzhydryl-N-pentan-2-ylpentan-2-amine

C23H33N — CID 175505077

IUPACN-benzhydryl-N-pentan-2-ylpentan-2-amine
SMILESCCCC(C)N(C(C)CCC)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H33N/c1-5-13-19(3)24(20(4)14-6-2)23(21-15-9-7-10-16-21)22-17-11-8-12-18-22/h7-12,15-20,23H,5-6,13-14H2,1-4H3
InChIKeyKRRFNBKNPDOMBU-UHFFFAOYSA-N
MW323.52 g/mol
LogP6.46
Rot. Bonds9

About N-benzhydryl-N-pentan-2-ylpentan-2-amine

N-benzhydryl-N-pentan-2-ylpentan-2-amine (PubChem CID 175505077) has the molecular formula C23H33N and a molecular weight of 323.52 g/mol. Its IUPAC name is N-benzhydryl-N-pentan-2-ylpentan-2-amine.

Molecular Properties

Compound NameN-benzhydryl-N-pentan-2-ylpentan-2-amine
PubChem CID175505077
Molecular FormulaC23H33N
Molecular Weight323.52 g/mol
Exact Mass323.26
IUPAC NameN-benzhydryl-N-pentan-2-ylpentan-2-amine
SMILESCCCC(C)N(C(C)CCC)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H33N/c1-5-13-19(3)24(20(4)14-6-2)23(21-15-9-7-10-16-21)22-17-11-8-12-18-22/h7-12,15-20,23H,5-6,13-14H2,1-4H3
InChIKeyKRRFNBKNPDOMBU-UHFFFAOYSA-N
XLogP6.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.52
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

pentan-2-ylbenzene
CID 17627
[(1R)-1-[(2S)-pentan-2-yl]oxyethyl]benzene
CID 139248421
(1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine
CID 139197887
N-methyl-N-pentan-2-yl-1-phenylpropane-1,3-diamine
CID 62779701
(6R)-6-[benzhydryl-[(1R)-2-hydroxy-1-phenylethyl]amino]nonan-2-one
CID 10694563
1-phenylbutylsilane
CID 173332415
CID 19876403
CID 19876403
3-chlorohexan-2-ylbenzene
CID 83050941
4-methylheptan-2-ylbenzene
CID 21055597
(1-iodo-2-methylpentyl)benzene
CID 174742530
2-methyl-1,1-diphenylhexan-3-amine
CID 83047736
1-phenyl-N-propan-2-ylbutan-1-amine
CID 43177244

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-N-pentan-2-ylpentan-2-amine?
The IUPAC name of N-benzhydryl-N-pentan-2-ylpentan-2-amine (CID 175505077) is N-benzhydryl-N-pentan-2-ylpentan-2-amine.
What is the SMILES notation for N-benzhydryl-N-pentan-2-ylpentan-2-amine?
The canonical SMILES for N-benzhydryl-N-pentan-2-ylpentan-2-amine is CCCC(C)N(C(C)CCC)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-N-pentan-2-ylpentan-2-amine?
The InChIKey is KRRFNBKNPDOMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N/c1-5-13-19(3)24(20(4)14-6-2)23(21-15-9-7-10-16-21)22-17-11-8-12-18-22/h7-12,15-20,23H,5-6,13-14H2,1-4H3.
What are the key properties of N-benzhydryl-N-pentan-2-ylpentan-2-amine?
N-benzhydryl-N-pentan-2-ylpentan-2-amine has a molecular weight of 323.52 g/mol, XLogP of 6.46, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-N-pentan-2-ylpentan-2-amine is sourced from PubChem (CID 175505077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).