N,1-dimethyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-amine

C17H30N2 — CID 6456299

IUPACN,1-dimethyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-amine
SMILESC=C(C)C1CC=C(CN(C)C2CCN(C)CC2)CC1
InChIInChI=1S/C17H30N2/c1-14(2)16-7-5-15(6-8-16)13-19(4)17-9-11-18(3)12-10-17/h5,16-17H,1,6-13H2,2-4H3
InChIKeyDYWGCMXMWDNRNI-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.32
Rot. Bonds4

About N,1-dimethyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-amine

N,1-dimethyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-amine (PubChem CID 6456299) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N,1-dimethyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-amine
PubChem CID6456299
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN,1-dimethyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-amine
SMILESC=C(C)C1CC=C(CN(C)C2CCN(C)CC2)CC1
InChIInChI=1S/C17H30N2/c1-14(2)16-7-5-15(6-8-16)13-19(4)17-9-11-18(3)12-10-17/h5,16-17H,1,6-13H2,2-4H3
InChIKeyDYWGCMXMWDNRNI-UHFFFAOYSA-N
XLogP3.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-amine?
The IUPAC name of N,1-dimethyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-amine (CID 6456299) is N,1-dimethyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-amine is C=C(C)C1CC=C(CN(C)C2CCN(C)CC2)CC1.
What is the InChIKey of N,1-dimethyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-amine?
The InChIKey is DYWGCMXMWDNRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-14(2)16-7-5-15(6-8-16)13-19(4)17-9-11-18(3)12-10-17/h5,16-17H,1,6-13H2,2-4H3.
What are the key properties of N,1-dimethyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-amine?
N,1-dimethyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-amine has a molecular weight of 262.44 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 6456299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).