7-cyclopropyl-3,5,5,6-tetramethyl-N-(2,3,3-trimethylbutyl)heptan-2-amine

C21H43N — CID 91039699

IUPAC7-cyclopropyl-3,5,5,6-tetramethyl-N-(2,3,3-trimethylbutyl)heptan-2-amine
SMILESCC(CC(C)(C)C(C)CC1CC1)C(C)NCC(C)C(C)(C)C
InChIInChI=1S/C21H43N/c1-15(18(4)22-14-17(3)20(5,6)7)13-21(8,9)16(2)12-19-10-11-19/h15-19,22H,10-14H2,1-9H3
InChIKeyRSCVUFHJMKQDSY-UHFFFAOYSA-N
MW309.58 g/mol
LogP6.14
Rot. Bonds9

About 7-cyclopropyl-3,5,5,6-tetramethyl-N-(2,3,3-trimethylbutyl)heptan-2-amine

7-cyclopropyl-3,5,5,6-tetramethyl-N-(2,3,3-trimethylbutyl)heptan-2-amine (PubChem CID 91039699) has the molecular formula C21H43N and a molecular weight of 309.58 g/mol. Its IUPAC name is 7-cyclopropyl-3,5,5,6-tetramethyl-N-(2,3,3-trimethylbutyl)heptan-2-amine.

Molecular Properties

Compound Name7-cyclopropyl-3,5,5,6-tetramethyl-N-(2,3,3-trimethylbutyl)heptan-2-amine
PubChem CID91039699
Molecular FormulaC21H43N
Molecular Weight309.58 g/mol
Exact Mass309.34
IUPAC Name7-cyclopropyl-3,5,5,6-tetramethyl-N-(2,3,3-trimethylbutyl)heptan-2-amine
SMILESCC(CC(C)(C)C(C)CC1CC1)C(C)NCC(C)C(C)(C)C
InChIInChI=1S/C21H43N/c1-15(18(4)22-14-17(3)20(5,6)7)13-21(8,9)16(2)12-19-10-11-19/h15-19,22H,10-14H2,1-9H3
InChIKeyRSCVUFHJMKQDSY-UHFFFAOYSA-N
XLogP6.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.58
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-3,5,5,6-tetramethyl-N-(2,3,3-trimethylbutyl)heptan-2-amine?
The IUPAC name of 7-cyclopropyl-3,5,5,6-tetramethyl-N-(2,3,3-trimethylbutyl)heptan-2-amine (CID 91039699) is 7-cyclopropyl-3,5,5,6-tetramethyl-N-(2,3,3-trimethylbutyl)heptan-2-amine.
What is the SMILES notation for 7-cyclopropyl-3,5,5,6-tetramethyl-N-(2,3,3-trimethylbutyl)heptan-2-amine?
The canonical SMILES for 7-cyclopropyl-3,5,5,6-tetramethyl-N-(2,3,3-trimethylbutyl)heptan-2-amine is CC(CC(C)(C)C(C)CC1CC1)C(C)NCC(C)C(C)(C)C.
What is the InChIKey of 7-cyclopropyl-3,5,5,6-tetramethyl-N-(2,3,3-trimethylbutyl)heptan-2-amine?
The InChIKey is RSCVUFHJMKQDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N/c1-15(18(4)22-14-17(3)20(5,6)7)13-21(8,9)16(2)12-19-10-11-19/h15-19,22H,10-14H2,1-9H3.
What are the key properties of 7-cyclopropyl-3,5,5,6-tetramethyl-N-(2,3,3-trimethylbutyl)heptan-2-amine?
7-cyclopropyl-3,5,5,6-tetramethyl-N-(2,3,3-trimethylbutyl)heptan-2-amine has a molecular weight of 309.58 g/mol, XLogP of 6.14, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-3,5,5,6-tetramethyl-N-(2,3,3-trimethylbutyl)heptan-2-amine is sourced from PubChem (CID 91039699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).