2-cyclohexyl-5-methyl-3a,9,9a,9b-tetrahydro-1H-perimidine

C18H24N2 — CID 123388354

IUPAC2-cyclohexyl-5-methyl-3a,9,9a,9b-tetrahydro-1H-perimidine
SMILESCC1=CC2N=C(C3CCCCC3)NC3CC=CC(=C1)C23
InChIInChI=1S/C18H24N2/c1-12-10-14-8-5-9-15-17(14)16(11-12)20-18(19-15)13-6-3-2-4-7-13/h5,8,10-11,13,15-17H,2-4,6-7,9H2,1H3,(H,19,20)
InChIKeyBPXHFIGINIEYSN-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.77
Rot. Bonds1

About 2-cyclohexyl-5-methyl-3a,9,9a,9b-tetrahydro-1H-perimidine

2-cyclohexyl-5-methyl-3a,9,9a,9b-tetrahydro-1H-perimidine (PubChem CID 123388354) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-cyclohexyl-5-methyl-3a,9,9a,9b-tetrahydro-1H-perimidine.

Molecular Properties

Compound Name2-cyclohexyl-5-methyl-3a,9,9a,9b-tetrahydro-1H-perimidine
PubChem CID123388354
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-cyclohexyl-5-methyl-3a,9,9a,9b-tetrahydro-1H-perimidine
SMILESCC1=CC2N=C(C3CCCCC3)NC3CC=CC(=C1)C23
InChIInChI=1S/C18H24N2/c1-12-10-14-8-5-9-15-17(14)16(11-12)20-18(19-15)13-6-3-2-4-7-13/h5,8,10-11,13,15-17H,2-4,6-7,9H2,1H3,(H,19,20)
InChIKeyBPXHFIGINIEYSN-UHFFFAOYSA-N
XLogP3.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminoethylimino)-N-(5-fluoro-2-methylhepta-2,4,6-trienyl)-N,6-dimethyl-4a,5,8,8a-tetrahydro-3H-quinolin-2-amine
CID 123498754
4,4-difluoro-N'-methyl-N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]cyclohexane-1-carboximidamide
CID 167148982
N'-(3-aminopropyl)-N-[(2Z,8S)-4-fluoro-8-methylcycloocta-2,4-dien-1-yl]-2-methylpropanimidamide
CID 173841836
2-(Piperidin-3-ylmethyl)-1,2,6,7-tetrahydro-1,8-naphthyridine
CID 70126912
2-(4-methylpentyl)-3a,9,9a,9b-tetrahydro-1H-perimidine
CID 89636915
2-ethyl-3a,7,8,9,9a,9b-hexahydro-1H-perimidine
CID 89636931
2-ethyl-3a,9,9a,9b-tetrahydro-1H-perimidine
CID 89637067
5-[5-(1,2,3,4,8a,9-hexahydrophenanthren-9-yl)-3-[6-[(1S)-2-bicyclo[3.1.0]hexa-3,5-dienyl]-2-cyclohex-2-en-1-yl-1,2-dihydropyridin-4-yl]cyclohex-2-en-1-yl]-2-methyl-1,4,5,6-tetrahydropyrimidine
CID 130180715
(Z,7E)-N,5-dimethyl-7-[(5Z)-9-methyl-2-(3-methylpentyl)-1,4,8,9-tetrahydro-1,3-diazonin-7-ylidene]hept-3-en-1-amine
CID 134270603
[2-[di(cyclohexa-1,5-dien-1-yl)-(3-methylcyclohexa-1,3-dien-1-yl)methyl]imino-4-methyl-3,4-dihydro-1H-pyridin-3-yl]methanamine
CID 136611139
3-amino-4-(3-ethylcyclopent-3-en-1-yl)-N'-methyl-N-prop-2-enylbutanimidamide
CID 137484630
[(5R)-4-(4-ethylcyclohexa-2,4-dien-1-yl)-2,6-diazabicyclo[3.1.1]hepta-1(6),3-dien-7-yl]methanamine
CID 138528198

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-methyl-3a,9,9a,9b-tetrahydro-1H-perimidine?
The IUPAC name of 2-cyclohexyl-5-methyl-3a,9,9a,9b-tetrahydro-1H-perimidine (CID 123388354) is 2-cyclohexyl-5-methyl-3a,9,9a,9b-tetrahydro-1H-perimidine.
What is the SMILES notation for 2-cyclohexyl-5-methyl-3a,9,9a,9b-tetrahydro-1H-perimidine?
The canonical SMILES for 2-cyclohexyl-5-methyl-3a,9,9a,9b-tetrahydro-1H-perimidine is CC1=CC2N=C(C3CCCCC3)NC3CC=CC(=C1)C23.
What is the InChIKey of 2-cyclohexyl-5-methyl-3a,9,9a,9b-tetrahydro-1H-perimidine?
The InChIKey is BPXHFIGINIEYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-12-10-14-8-5-9-15-17(14)16(11-12)20-18(19-15)13-6-3-2-4-7-13/h5,8,10-11,13,15-17H,2-4,6-7,9H2,1H3,(H,19,20).
What are the key properties of 2-cyclohexyl-5-methyl-3a,9,9a,9b-tetrahydro-1H-perimidine?
2-cyclohexyl-5-methyl-3a,9,9a,9b-tetrahydro-1H-perimidine has a molecular weight of 268.40 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-methyl-3a,9,9a,9b-tetrahydro-1H-perimidine is sourced from PubChem (CID 123388354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).