N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]pentan-2-amine

C17H30N2 — CID 62434377

IUPACN-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]pentan-2-amine
SMILESCCCC(C)N(C)Cc1ccccc1CNC(C)C
InChIInChI=1S/C17H30N2/c1-6-9-15(4)19(5)13-17-11-8-7-10-16(17)12-18-14(2)3/h7-8,10-11,14-15,18H,6,9,12-13H2,1-5H3
InChIKeyPSUGAOZWPXMWJT-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.81
Rot. Bonds8

About N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]pentan-2-amine

N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]pentan-2-amine (PubChem CID 62434377) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]pentan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]pentan-2-amine
PubChem CID62434377
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]pentan-2-amine
SMILESCCCC(C)N(C)Cc1ccccc1CNC(C)C
InChIInChI=1S/C17H30N2/c1-6-9-15(4)19(5)13-17-11-8-7-10-16(17)12-18-14(2)3/h7-8,10-11,14-15,18H,6,9,12-13H2,1-5H3
InChIKeyPSUGAOZWPXMWJT-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]pentan-2-amine
CID 115463756
N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]propan-1-amine
CID 62417579
N-methyl-N-[2-[2-[(propan-2-ylamino)methyl]phenoxy]ethyl]pentan-2-amine
CID 62433074
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-2-amine
CID 115463757
N-[2-[2-[[methyl(pentan-2-yl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 115463758
2-[[methyl(pentan-2-yl)amino]methyl]benzoic acid
CID 43572310
4-N-[(2-fluorophenyl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62437144
N-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine
CID 63274805
N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281572
2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 55072069
N-[[2-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 63940458
N-[(2-chloro-3-pyridinyl)methyl]-N-methylpentan-2-amine
CID 62470184

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]pentan-2-amine?
The IUPAC name of N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]pentan-2-amine (CID 62434377) is N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]pentan-2-amine.
What is the SMILES notation for N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]pentan-2-amine?
The canonical SMILES for N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]pentan-2-amine is CCCC(C)N(C)Cc1ccccc1CNC(C)C.
What is the InChIKey of N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]pentan-2-amine?
The InChIKey is PSUGAOZWPXMWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-9-15(4)19(5)13-17-11-8-7-10-16(17)12-18-14(2)3/h7-8,10-11,14-15,18H,6,9,12-13H2,1-5H3.
What are the key properties of N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]pentan-2-amine?
N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]pentan-2-amine has a molecular weight of 262.44 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-[(propan-2-ylamino)methyl]phenyl]methyl]pentan-2-amine is sourced from PubChem (CID 62434377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).