N,N-dimethyl-1-[3-methyl-1-(propylamino)butyl]cycloheptan-1-amine

C17H36N2 — CID 79081393

IUPACN,N-dimethyl-1-[3-methyl-1-(propylamino)butyl]cycloheptan-1-amine
SMILESCCCNC(CC(C)C)C1(N(C)C)CCCCCC1
InChIInChI=1S/C17H36N2/c1-6-13-18-16(14-15(2)3)17(19(4)5)11-9-7-8-10-12-17/h15-16,18H,6-14H2,1-5H3
InChIKeyPTNZWDRFBXXQHJ-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds7

About N,N-dimethyl-1-[3-methyl-1-(propylamino)butyl]cycloheptan-1-amine

N,N-dimethyl-1-[3-methyl-1-(propylamino)butyl]cycloheptan-1-amine (PubChem CID 79081393) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-methyl-1-(propylamino)butyl]cycloheptan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-methyl-1-(propylamino)butyl]cycloheptan-1-amine
PubChem CID79081393
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN,N-dimethyl-1-[3-methyl-1-(propylamino)butyl]cycloheptan-1-amine
SMILESCCCNC(CC(C)C)C1(N(C)C)CCCCCC1
InChIInChI=1S/C17H36N2/c1-6-13-18-16(14-15(2)3)17(19(4)5)11-9-7-8-10-12-17/h15-16,18H,6-14H2,1-5H3
InChIKeyPTNZWDRFBXXQHJ-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-[3-methyl-1-(propylamino)butyl]cyclopentan-1-amine
CID 79069925
N,N-dimethyl-1-[2-propan-2-yloxy-1-(propylamino)ethyl]cycloheptan-1-amine
CID 79570086
1-[2-ethoxy-1-(propylamino)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79570214
1-[4,4-dimethyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine
CID 79067056
N,N-dimethyl-1-[4,4,4-trifluoro-1-(propylamino)butyl]cycloheptan-1-amine
CID 79063262
N,N-dimethyl-1-[1-(propylamino)but-3-enyl]cyclopentan-1-amine
CID 79070855
1-[2-cyclobutyl-1-(propylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79069853
N,N-dimethyl-1-[2-methyl-1-(propylamino)butyl]cycloheptan-1-amine
CID 79445008
1-[4-methoxy-4-methyl-1-(propylamino)pentyl]-N,N-dimethylcyclohexan-1-amine
CID 103035868
N,N-dimethyl-1-[2-(2-methylphenyl)-1-(propylamino)ethyl]cyclopentan-1-amine
CID 79058648
1-[1-(ethylamino)hexyl]-N,N-dimethylcycloheptan-1-amine
CID 79081785
N,N-dimethyl-1-[2-(1-methylpyrazol-3-yl)-1-(propylamino)ethyl]cyclopentan-1-amine
CID 82876946

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-methyl-1-(propylamino)butyl]cycloheptan-1-amine?
The IUPAC name of N,N-dimethyl-1-[3-methyl-1-(propylamino)butyl]cycloheptan-1-amine (CID 79081393) is N,N-dimethyl-1-[3-methyl-1-(propylamino)butyl]cycloheptan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[3-methyl-1-(propylamino)butyl]cycloheptan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[3-methyl-1-(propylamino)butyl]cycloheptan-1-amine is CCCNC(CC(C)C)C1(N(C)C)CCCCCC1.
What is the InChIKey of N,N-dimethyl-1-[3-methyl-1-(propylamino)butyl]cycloheptan-1-amine?
The InChIKey is PTNZWDRFBXXQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-13-18-16(14-15(2)3)17(19(4)5)11-9-7-8-10-12-17/h15-16,18H,6-14H2,1-5H3.
What are the key properties of N,N-dimethyl-1-[3-methyl-1-(propylamino)butyl]cycloheptan-1-amine?
N,N-dimethyl-1-[3-methyl-1-(propylamino)butyl]cycloheptan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-methyl-1-(propylamino)butyl]cycloheptan-1-amine is sourced from PubChem (CID 79081393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).