N-[[1-(dimethylamino)cyclohexyl]methyl]-1-prop-2-ynylpiperidin-4-amine

C17H31N3 — CID 43766456

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NCC2(N(C)C)CCCCC2)CC1
InChIInChI=1S/C17H31N3/c1-4-12-20-13-8-16(9-14-20)18-15-17(19(2)3)10-6-5-7-11-17/h1,16,18H,5-15H2,2-3H3
InChIKeyRSQGRZHYOVTNBG-UHFFFAOYSA-N
MW277.46 g/mol
LogP1.94
Rot. Bonds5

About N-[[1-(dimethylamino)cyclohexyl]methyl]-1-prop-2-ynylpiperidin-4-amine

N-[[1-(dimethylamino)cyclohexyl]methyl]-1-prop-2-ynylpiperidin-4-amine (PubChem CID 43766456) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-1-prop-2-ynylpiperidin-4-amine
PubChem CID43766456
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NCC2(N(C)C)CCCCC2)CC1
InChIInChI=1S/C17H31N3/c1-4-12-20-13-8-16(9-14-20)18-15-17(19(2)3)10-6-5-7-11-17/h1,16,18H,5-15H2,2-3H3
InChIKeyRSQGRZHYOVTNBG-UHFFFAOYSA-N
XLogP1.94
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(dimethylamino)cyclohexyl]methyl]-1-ethylazepan-4-amine
CID 65072853
N-[[1-(dimethylamino)cyclopentyl]methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 81296817
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-ethylazepan-4-amine
CID 105415647
N-[(1-propan-2-ylcyclopropyl)methyl]-1-prop-2-ynylpiperidin-4-amine
CID 103903238
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-ethylpiperidin-3-amine
CID 50984370
N-[[1-(dimethylamino)cyclopentyl]methyl]-1,2-dimethylpiperidin-4-amine
CID 81302342
N-[[1-(dimethylamino)cyclohexyl]methyl]oxepan-4-amine
CID 65076450
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-propan-2-ylazepan-4-amine
CID 105414514
N-[[1-(dimethylamino)cyclopentyl]methyl]pyrrolidin-3-amine
CID 83107682
N-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine
CID 115896868
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 54860858
N-[[1-(dimethylamino)cyclopentyl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 83108296

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-prop-2-ynylpiperidin-4-amine (CID 43766456) is N-[[1-(dimethylamino)cyclohexyl]methyl]-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(NCC2(N(C)C)CCCCC2)CC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is RSQGRZHYOVTNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-12-20-13-8-16(9-14-20)18-15-17(19(2)3)10-6-5-7-11-17/h1,16,18H,5-15H2,2-3H3.
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-prop-2-ynylpiperidin-4-amine?
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 277.46 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 43766456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).