N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cycloheptanamine

C15H29N — CID 66475934

IUPACN-[(2,2,3,3-tetramethylcyclopropyl)methyl]cycloheptanamine
SMILESCC1(C)C(CNC2CCCCCC2)C1(C)C
InChIInChI=1S/C15H29N/c1-14(2)13(15(14,3)4)11-16-12-9-7-5-6-8-10-12/h12-13,16H,5-11H2,1-4H3
InChIKeyHDMXDHWQYIVIJH-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.98
Rot. Bonds3

About N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cycloheptanamine

N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cycloheptanamine (PubChem CID 66475934) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(2,2,3,3-tetramethylcyclopropyl)methyl]cycloheptanamine
PubChem CID66475934
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-[(2,2,3,3-tetramethylcyclopropyl)methyl]cycloheptanamine
SMILESCC1(C)C(CNC2CCCCCC2)C1(C)C
InChIInChI=1S/C15H29N/c1-14(2)13(15(14,3)4)11-16-12-9-7-5-6-8-10-12/h12-13,16H,5-11H2,1-4H3
InChIKeyHDMXDHWQYIVIJH-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cycloheptanamine?
The IUPAC name of N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cycloheptanamine (CID 66475934) is N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cycloheptanamine.
What is the SMILES notation for N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cycloheptanamine?
The canonical SMILES for N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cycloheptanamine is CC1(C)C(CNC2CCCCCC2)C1(C)C.
What is the InChIKey of N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cycloheptanamine?
The InChIKey is HDMXDHWQYIVIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-14(2)13(15(14,3)4)11-16-12-9-7-5-6-8-10-12/h12-13,16H,5-11H2,1-4H3.
What are the key properties of N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cycloheptanamine?
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cycloheptanamine has a molecular weight of 223.40 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cycloheptanamine is sourced from PubChem (CID 66475934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).