N-(cyclohexylmethyl)propan-2-amine;methane;N-propan-2-ylcycloheptanamine;propan-2-yloxycycloheptane

C33H74N2O — CID 161258627

IUPACN-(cyclohexylmethyl)propan-2-amine;methane;N-propan-2-ylcycloheptanamine;propan-2-yloxycycloheptane
SMILESC.C.C.CC(C)NC1CCCCCC1.CC(C)NCC1CCCCC1.CC(C)OC1CCCCCC1
InChIInChI=1S/2C10H21N.C10H20O.3CH4/c1-9(2)11-8-10-6-4-3-5-7-10;2*1-9(2)11-10-7-5-3-4-6-8-10;;;/h2*9-11H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;3*1H4
InChIKeyVCGLLEYRWDBVLV-UHFFFAOYSA-N
MW514.97 g/mol
LogP10.31
Rot. Bonds7

About N-(cyclohexylmethyl)propan-2-amine;methane;N-propan-2-ylcycloheptanamine;propan-2-yloxycycloheptane

N-(cyclohexylmethyl)propan-2-amine;methane;N-propan-2-ylcycloheptanamine;propan-2-yloxycycloheptane (PubChem CID 161258627) has the molecular formula C33H74N2O and a molecular weight of 514.97 g/mol. Its IUPAC name is N-(cyclohexylmethyl)propan-2-amine;methane;N-propan-2-ylcycloheptanamine;propan-2-yloxycycloheptane.

Molecular Properties

Compound NameN-(cyclohexylmethyl)propan-2-amine;methane;N-propan-2-ylcycloheptanamine;propan-2-yloxycycloheptane
PubChem CID161258627
Molecular FormulaC33H74N2O
Molecular Weight514.97 g/mol
Exact Mass514.58
IUPAC NameN-(cyclohexylmethyl)propan-2-amine;methane;N-propan-2-ylcycloheptanamine;propan-2-yloxycycloheptane
SMILESC.C.C.CC(C)NC1CCCCCC1.CC(C)NCC1CCCCC1.CC(C)OC1CCCCCC1
InChIInChI=1S/2C10H21N.C10H20O.3CH4/c1-9(2)11-8-10-6-4-3-5-7-10;2*1-9(2)11-10-7-5-3-4-6-8-10;;;/h2*9-11H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;3*1H4
InChIKeyVCGLLEYRWDBVLV-UHFFFAOYSA-N
XLogP10.31
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.97
LogP ≤ 510.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yloxycycloundecane
CID 91254526
N-propan-2-ylcycloheptanamine
CID 42562651
(1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81390333
(1R)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81391954
(1R)-N-(cyclobutylmethyl)-1-cyclohexylethanamine
CID 81385089
ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane
CID 158392294
N-(cyclohexylmethyl)propan-2-amine;N,N-dimethylpropan-2-amine;methane;heptakis(N-methylpropan-2-amine)
CID 158956427
(1R)-N-(cyclobutylmethyl)-1-cyclopentylethanamine
CID 81393857
N-[1-[3-[(propan-2-ylamino)methyl]cyclopentyl]propan-2-yl]cyclopentanamine
CID 156571108
N-[[1-(2-cyclohexyloxyethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63827714
N-[(4-ethylcyclohexyl)methyl]propan-2-amine
CID 60972109
4-[(propan-2-ylamino)methyl]cyclohexan-1-amine
CID 18722066

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)propan-2-amine;methane;N-propan-2-ylcycloheptanamine;propan-2-yloxycycloheptane?
The IUPAC name of N-(cyclohexylmethyl)propan-2-amine;methane;N-propan-2-ylcycloheptanamine;propan-2-yloxycycloheptane (CID 161258627) is N-(cyclohexylmethyl)propan-2-amine;methane;N-propan-2-ylcycloheptanamine;propan-2-yloxycycloheptane.
What is the SMILES notation for N-(cyclohexylmethyl)propan-2-amine;methane;N-propan-2-ylcycloheptanamine;propan-2-yloxycycloheptane?
The canonical SMILES for N-(cyclohexylmethyl)propan-2-amine;methane;N-propan-2-ylcycloheptanamine;propan-2-yloxycycloheptane is C.C.C.CC(C)NC1CCCCCC1.CC(C)NCC1CCCCC1.CC(C)OC1CCCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)propan-2-amine;methane;N-propan-2-ylcycloheptanamine;propan-2-yloxycycloheptane?
The InChIKey is VCGLLEYRWDBVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H21N.C10H20O.3CH4/c1-9(2)11-8-10-6-4-3-5-7-10;2*1-9(2)11-10-7-5-3-4-6-8-10;;;/h2*9-11H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;3*1H4.
What are the key properties of N-(cyclohexylmethyl)propan-2-amine;methane;N-propan-2-ylcycloheptanamine;propan-2-yloxycycloheptane?
N-(cyclohexylmethyl)propan-2-amine;methane;N-propan-2-ylcycloheptanamine;propan-2-yloxycycloheptane has a molecular weight of 514.97 g/mol, XLogP of 10.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)propan-2-amine;methane;N-propan-2-ylcycloheptanamine;propan-2-yloxycycloheptane is sourced from PubChem (CID 161258627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).