N-[(4-tert-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine

C19H35NO — CID 102647597

IUPACN-[(4-tert-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H35NO/c1-5-13-20-18(17-8-6-7-14-21-17)15-9-11-16(12-10-15)19(2,3)4/h8,15-16,18,20H,5-7,9-14H2,1-4H3
InChIKeyGQMZJEWGBRFGKP-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.90
Rot. Bonds5

About N-[(4-tert-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine

N-[(4-tert-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine (PubChem CID 102647597) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
PubChem CID102647597
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC NameN-[(4-tert-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H35NO/c1-5-13-20-18(17-8-6-7-14-21-17)15-9-11-16(12-10-15)19(2,3)4/h8,15-16,18,20H,5-7,9-14H2,1-4H3
InChIKeyGQMZJEWGBRFGKP-UHFFFAOYSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-tert-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-butylcyclohexyl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102649544
N-[2-adamantyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102648915
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methyl-N-propylpropan-1-amine
CID 102648094
N-[3,4-dihydro-2H-chromen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647613
N-[(4-tert-butylcyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 63504364
N-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 102649135
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylbutan-1-amine
CID 102647447
N-[(4-tert-butylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
CID 63501793
N-[(4-tert-butylcyclohexyl)-thiophen-3-ylmethyl]propan-1-amine
CID 65415541
N-[3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647609
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647507
N-[3,4-dihydro-2H-pyran-6-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methyl]propan-1-amine
CID 102647972

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-tert-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine (CID 102647597) is N-[(4-tert-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-tert-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-tert-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine is CCCNC(C1=CCCCO1)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
The InChIKey is GQMZJEWGBRFGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-5-13-20-18(17-8-6-7-14-21-17)15-9-11-16(12-10-15)19(2,3)4/h8,15-16,18,20H,5-7,9-14H2,1-4H3.
What are the key properties of N-[(4-tert-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine?
N-[(4-tert-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine is sourced from PubChem (CID 102647597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).