N,2-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]butan-2-amine

C17H36N2 — CID 63964071

IUPACN,2-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]butan-2-amine
SMILESCCC(C)(C)N(C)CC1(CNCC(C)C)CCCC1
InChIInChI=1S/C17H36N2/c1-7-16(4,5)19(6)14-17(10-8-9-11-17)13-18-12-15(2)3/h15,18H,7-14H2,1-6H3
InChIKeyPTXBZKXCOKVYBI-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds8

About N,2-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]butan-2-amine

N,2-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]butan-2-amine (PubChem CID 63964071) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N,2-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]butan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]butan-2-amine
PubChem CID63964071
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN,2-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]butan-2-amine
SMILESCCC(C)(C)N(C)CC1(CNCC(C)C)CCCC1
InChIInChI=1S/C17H36N2/c1-7-16(4,5)19(6)14-17(10-8-9-11-17)13-18-12-15(2)3/h15,18H,7-14H2,1-6H3
InChIKeyPTXBZKXCOKVYBI-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclohexyl]methyl]butan-2-amine
CID 63964541
N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N,2-dimethylbutan-2-amine
CID 63964314
N-[[1-(bromomethyl)cycloheptyl]methyl]-N,2-dimethylbutan-2-amine
CID 65007549
N-[[1-[[cyclobutylmethyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 62860855
N-[[1-[[2-methoxyethyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 62260034
N-methyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]-1-methylsulfanylbutan-2-amine
CID 115987455
2-methyl-N-[(1-propylcyclobutyl)methyl]propan-1-amine
CID 65196170
2-methyl-N-[[1-[[methyl(2-methylsulfanylethyl)amino]methyl]cycloheptyl]methyl]propan-1-amine
CID 115987410
N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]butan-2-amine
CID 63965868
N,4-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine
CID 63495608
N,2-dimethyl-N-[[3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]butan-2-amine
CID 63967172
N-[[1-(aminomethyl)cycloheptyl]methyl]-2-methylpropan-1-amine
CID 115444997

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]butan-2-amine?
The IUPAC name of N,2-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]butan-2-amine (CID 63964071) is N,2-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]butan-2-amine.
What is the SMILES notation for N,2-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]butan-2-amine?
The canonical SMILES for N,2-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]butan-2-amine is CCC(C)(C)N(C)CC1(CNCC(C)C)CCCC1.
What is the InChIKey of N,2-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]butan-2-amine?
The InChIKey is PTXBZKXCOKVYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-7-16(4,5)19(6)14-17(10-8-9-11-17)13-18-12-15(2)3/h15,18H,7-14H2,1-6H3.
What are the key properties of N,2-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]butan-2-amine?
N,2-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]butan-2-amine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]butan-2-amine is sourced from PubChem (CID 63964071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).