(1R,4R)-1,7,7-trimethyl-N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptan-2-amine

C18H35N — CID 134926433

IUPAC(1R,4R)-1,7,7-trimethyl-N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)(C)CC(C)(C)NC1C[C@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C18H35N/c1-15(2,3)12-16(4,5)19-14-11-13-9-10-18(14,8)17(13,6)7/h13-14,19H,9-12H2,1-8H3/t13-,14?,18+/m1/s1
InChIKeyQIFSXEAQKMQILP-RFQFSVLTSA-N
MW265.48 g/mol
LogP5.01
Rot. Bonds3

About (1R,4R)-1,7,7-trimethyl-N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptan-2-amine

(1R,4R)-1,7,7-trimethyl-N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 134926433) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is (1R,4R)-1,7,7-trimethyl-N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,4R)-1,7,7-trimethyl-N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptan-2-amine
PubChem CID134926433
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name(1R,4R)-1,7,7-trimethyl-N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptan-2-amine
SMILESCC(C)(C)CC(C)(C)NC1C[C@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C18H35N/c1-15(2,3)12-16(4,5)19-14-11-13-9-10-18(14,8)17(13,6)7/h13-14,19H,9-12H2,1-8H3/t13-,14?,18+/m1/s1
InChIKeyQIFSXEAQKMQILP-RFQFSVLTSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-1,7,7-trimethyl-N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,4R)-1,7,7-trimethyl-N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptan-2-amine (CID 134926433) is (1R,4R)-1,7,7-trimethyl-N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,4R)-1,7,7-trimethyl-N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,4R)-1,7,7-trimethyl-N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptan-2-amine is CC(C)(C)CC(C)(C)NC1C[C@H]2CC[C@]1(C)C2(C)C.
What is the InChIKey of (1R,4R)-1,7,7-trimethyl-N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is QIFSXEAQKMQILP-RFQFSVLTSA-N. The full InChI is InChI=1S/C18H35N/c1-15(2,3)12-16(4,5)19-14-11-13-9-10-18(14,8)17(13,6)7/h13-14,19H,9-12H2,1-8H3/t13-,14?,18+/m1/s1.
What are the key properties of (1R,4R)-1,7,7-trimethyl-N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptan-2-amine?
(1R,4R)-1,7,7-trimethyl-N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 265.48 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-1,7,7-trimethyl-N-(2,4,4-trimethylpentan-2-yl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 134926433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).