N-[3-(2-methylpiperidin-1-yl)propyl]-4-propan-2-ylcycloheptan-1-amine

C19H38N2 — CID 65087209

IUPACN-[3-(2-methylpiperidin-1-yl)propyl]-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(NCCCN2CCCCC2C)CC1
InChIInChI=1S/C19H38N2/c1-16(2)18-9-6-10-19(12-11-18)20-13-7-15-21-14-5-4-8-17(21)3/h16-20H,4-15H2,1-3H3
InChIKeyJZRLEXLNDQPUQA-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.45
Rot. Bonds6

About N-[3-(2-methylpiperidin-1-yl)propyl]-4-propan-2-ylcycloheptan-1-amine

N-[3-(2-methylpiperidin-1-yl)propyl]-4-propan-2-ylcycloheptan-1-amine (PubChem CID 65087209) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N-[3-(2-methylpiperidin-1-yl)propyl]-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[3-(2-methylpiperidin-1-yl)propyl]-4-propan-2-ylcycloheptan-1-amine
PubChem CID65087209
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN-[3-(2-methylpiperidin-1-yl)propyl]-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(NCCCN2CCCCC2C)CC1
InChIInChI=1S/C19H38N2/c1-16(2)18-9-6-10-19(12-11-18)20-13-7-15-21-14-5-4-8-17(21)3/h16-20H,4-15H2,1-3H3
InChIKeyJZRLEXLNDQPUQA-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexanamine
CID 43178283
4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine
CID 43079554
2-[3-(2-methylpiperidin-1-yl)propylamino]cyclohexan-1-ol
CID 60886265
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohex-2-en-1-amine
CID 107906360
3-(2-methylpiperidin-1-yl)-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 60696099
N-[3-(2-ethylazepan-1-yl)propyl]cyclopentanamine
CID 113441998
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]cyclopropanamine
CID 60868216
3-(2-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 43193223
2-methyl-1-(5-methylhexyl)piperidine
CID 142939607
2-[(4-propan-2-ylcycloheptyl)amino]ethanol
CID 65086684
methyl 2-cyclopropyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetate
CID 103233428
3-(2-methylpiperidin-1-yl)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 106723029

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of N-[3-(2-methylpiperidin-1-yl)propyl]-4-propan-2-ylcycloheptan-1-amine (CID 65087209) is N-[3-(2-methylpiperidin-1-yl)propyl]-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for N-[3-(2-methylpiperidin-1-yl)propyl]-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for N-[3-(2-methylpiperidin-1-yl)propyl]-4-propan-2-ylcycloheptan-1-amine is CC(C)C1CCCC(NCCCN2CCCCC2C)CC1.
What is the InChIKey of N-[3-(2-methylpiperidin-1-yl)propyl]-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is JZRLEXLNDQPUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-16(2)18-9-6-10-19(12-11-18)20-13-7-15-21-14-5-4-8-17(21)3/h16-20H,4-15H2,1-3H3.
What are the key properties of N-[3-(2-methylpiperidin-1-yl)propyl]-4-propan-2-ylcycloheptan-1-amine?
N-[3-(2-methylpiperidin-1-yl)propyl]-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpiperidin-1-yl)propyl]-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65087209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).