N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methylbutan-1-amine

C16H34N2 — CID 55051857

IUPACN-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)CC1(CNC(C)(C)C)CCCC1
InChIInChI=1S/C16H34N2/c1-6-7-12-18(5)14-16(10-8-9-11-16)13-17-15(2,3)4/h17H,6-14H2,1-5H3
InChIKeyAUIHCNRAHZERNQ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds7

About N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methylbutan-1-amine

N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methylbutan-1-amine (PubChem CID 55051857) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methylbutan-1-amine
PubChem CID55051857
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)CC1(CNC(C)(C)C)CCCC1
InChIInChI=1S/C16H34N2/c1-6-7-12-18(5)14-16(10-8-9-11-16)13-17-15(2,3)4/h17H,6-14H2,1-5H3
InChIKeyAUIHCNRAHZERNQ-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methylbutan-1-amine with MolForge

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Related Compounds

N'-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699316
2-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl-methylamino]ethanol
CID 62257930
N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]butan-1-amine
CID 62262652
2-methyl-N-[[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
CID 79842792
N-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]pentan-1-amine
CID 62264045
N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N,2-dimethylbutan-2-amine
CID 63964314
N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-methylbutan-2-amine
CID 62262894
N-[[1-[[benzyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 62262841
2-methyl-N-[(1-nonylcyclobutyl)methyl]propan-2-amine
CID 65194168
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-methylbutan-1-amine
CID 65009568
N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 63482009
2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-methylamino]ethanol
CID 62390793

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methylbutan-1-amine?
The IUPAC name of N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methylbutan-1-amine (CID 55051857) is N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methylbutan-1-amine is CCCCN(C)CC1(CNC(C)(C)C)CCCC1.
What is the InChIKey of N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methylbutan-1-amine?
The InChIKey is AUIHCNRAHZERNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-7-12-18(5)14-16(10-8-9-11-16)13-17-15(2,3)4/h17H,6-14H2,1-5H3.
What are the key properties of N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methylbutan-1-amine?
N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methylbutan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 55051857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).