(4R)-N-(1,4-dihydropyridin-2-ylmethyl)-4-methoxy-N-propan-2-ylcyclohexen-1-amine

C16H26N2O — CID 163739102

IUPAC(4R)-N-(1,4-dihydropyridin-2-ylmethyl)-4-methoxy-N-propan-2-ylcyclohexen-1-amine
SMILESCO[C@H]1CC=C(N(CC2=CCC=CN2)C(C)C)CC1
InChIInChI=1S/C16H26N2O/c1-13(2)18(12-14-6-4-5-11-17-14)15-7-9-16(19-3)10-8-15/h5-7,11,13,16-17H,4,8-10,12H2,1-3H3/t16-/m0/s1
InChIKeyLGFBTMQGSLEEFZ-INIZCTEOSA-N
MW262.40 g/mol
LogP3.17
Rot. Bonds5

About (4R)-N-(1,4-dihydropyridin-2-ylmethyl)-4-methoxy-N-propan-2-ylcyclohexen-1-amine

(4R)-N-(1,4-dihydropyridin-2-ylmethyl)-4-methoxy-N-propan-2-ylcyclohexen-1-amine (PubChem CID 163739102) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (4R)-N-(1,4-dihydropyridin-2-ylmethyl)-4-methoxy-N-propan-2-ylcyclohexen-1-amine.

Molecular Properties

Compound Name(4R)-N-(1,4-dihydropyridin-2-ylmethyl)-4-methoxy-N-propan-2-ylcyclohexen-1-amine
PubChem CID163739102
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(4R)-N-(1,4-dihydropyridin-2-ylmethyl)-4-methoxy-N-propan-2-ylcyclohexen-1-amine
SMILESCO[C@H]1CC=C(N(CC2=CCC=CN2)C(C)C)CC1
InChIInChI=1S/C16H26N2O/c1-13(2)18(12-14-6-4-5-11-17-14)15-7-9-16(19-3)10-8-15/h5-7,11,13,16-17H,4,8-10,12H2,1-3H3/t16-/m0/s1
InChIKeyLGFBTMQGSLEEFZ-INIZCTEOSA-N
XLogP3.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-Methoxycyclohexen-1-yl)piperazine
CID 143834986
(1-Cyclohex-2-en-1-yl-4-methoxypiperidin-2-yl)methanamine
CID 114620630

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(1,4-dihydropyridin-2-ylmethyl)-4-methoxy-N-propan-2-ylcyclohexen-1-amine?
The IUPAC name of (4R)-N-(1,4-dihydropyridin-2-ylmethyl)-4-methoxy-N-propan-2-ylcyclohexen-1-amine (CID 163739102) is (4R)-N-(1,4-dihydropyridin-2-ylmethyl)-4-methoxy-N-propan-2-ylcyclohexen-1-amine.
What is the SMILES notation for (4R)-N-(1,4-dihydropyridin-2-ylmethyl)-4-methoxy-N-propan-2-ylcyclohexen-1-amine?
The canonical SMILES for (4R)-N-(1,4-dihydropyridin-2-ylmethyl)-4-methoxy-N-propan-2-ylcyclohexen-1-amine is CO[C@H]1CC=C(N(CC2=CCC=CN2)C(C)C)CC1.
What is the InChIKey of (4R)-N-(1,4-dihydropyridin-2-ylmethyl)-4-methoxy-N-propan-2-ylcyclohexen-1-amine?
The InChIKey is LGFBTMQGSLEEFZ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)18(12-14-6-4-5-11-17-14)15-7-9-16(19-3)10-8-15/h5-7,11,13,16-17H,4,8-10,12H2,1-3H3/t16-/m0/s1.
What are the key properties of (4R)-N-(1,4-dihydropyridin-2-ylmethyl)-4-methoxy-N-propan-2-ylcyclohexen-1-amine?
(4R)-N-(1,4-dihydropyridin-2-ylmethyl)-4-methoxy-N-propan-2-ylcyclohexen-1-amine has a molecular weight of 262.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(1,4-dihydropyridin-2-ylmethyl)-4-methoxy-N-propan-2-ylcyclohexen-1-amine is sourced from PubChem (CID 163739102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).