1-(aminomethyl)-N,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]cycloheptan-1-amine

C17H30N2O — CID 65088167

IUPAC1-(aminomethyl)-N,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]cycloheptan-1-amine
SMILESCc1ccc(CN(C)C2(CN)CCCC(C)(C)CC2)o1
InChIInChI=1S/C17H30N2O/c1-14-6-7-15(20-14)12-19(4)17(13-18)9-5-8-16(2,3)10-11-17/h6-7H,5,8-13,18H2,1-4H3
InChIKeyUSLGQDYBJPWRLH-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.71
Rot. Bonds4

About 1-(aminomethyl)-N,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]cycloheptan-1-amine

1-(aminomethyl)-N,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]cycloheptan-1-amine (PubChem CID 65088167) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(aminomethyl)-N,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]cycloheptan-1-amine
PubChem CID65088167
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-(aminomethyl)-N,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]cycloheptan-1-amine
SMILESCc1ccc(CN(C)C2(CN)CCCC(C)(C)CC2)o1
InChIInChI=1S/C17H30N2O/c1-14-6-7-15(20-14)12-19(4)17(13-18)9-5-8-16(2,3)10-11-17/h6-7H,5,8-13,18H2,1-4H3
InChIKeyUSLGQDYBJPWRLH-UHFFFAOYSA-N
XLogP3.71
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]cycloheptan-1-amine (CID 65088167) is 1-(aminomethyl)-N,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]cycloheptan-1-amine is Cc1ccc(CN(C)C2(CN)CCCC(C)(C)CC2)o1.
What is the InChIKey of 1-(aminomethyl)-N,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]cycloheptan-1-amine?
The InChIKey is USLGQDYBJPWRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-14-6-7-15(20-14)12-19(4)17(13-18)9-5-8-16(2,3)10-11-17/h6-7H,5,8-13,18H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]cycloheptan-1-amine?
1-(aminomethyl)-N,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]cycloheptan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,4,4-trimethyl-N-[(5-methylfuran-2-yl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 65088167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).