N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]cycloheptanamine

C16H29N — CID 63506248

IUPACN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]cycloheptanamine
SMILESC1CCCC(NCCC2CC3CCC2C3)CC1
InChIInChI=1S/C16H29N/c1-2-4-6-16(5-3-1)17-10-9-15-12-13-7-8-14(15)11-13/h13-17H,1-12H2
InChIKeyBLTPCOHKHLOLIZ-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.13
Rot. Bonds4

About N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]cycloheptanamine

N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]cycloheptanamine (PubChem CID 63506248) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]cycloheptanamine
PubChem CID63506248
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]cycloheptanamine
SMILESC1CCCC(NCCC2CC3CCC2C3)CC1
InChIInChI=1S/C16H29N/c1-2-4-6-16(5-3-1)17-10-9-15-12-13-7-8-14(15)11-13/h13-17H,1-12H2
InChIKeyBLTPCOHKHLOLIZ-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine
CID 51723135
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]oxan-3-amine
CID 115714189
N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptanamine
CID 61364545
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]thian-3-amine
CID 115882074
N-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutanamine
CID 63689763
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine
CID 43163798
N-(2-cycloheptylethyl)cyclopentanamine
CID 114457795
N-(2-cycloundecylethyl)cyclodecanamine
CID 155180877
3-(2-bicyclo[2.2.1]heptanylmethyl)-N-propylcyclohexan-1-amine
CID 79550350
(1R,2S,4R)-2-(iodomethyl)bicyclo[2.2.1]heptane
CID 98085317
N-[2-[(1R,2R)-2-propylcyclopentyl]ethyl]cyclohexanamine
CID 125469957

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]cycloheptanamine?
The IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]cycloheptanamine (CID 63506248) is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]cycloheptanamine.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]cycloheptanamine?
The canonical SMILES for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]cycloheptanamine is C1CCCC(NCCC2CC3CCC2C3)CC1.
What is the InChIKey of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]cycloheptanamine?
The InChIKey is BLTPCOHKHLOLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-2-4-6-16(5-3-1)17-10-9-15-12-13-7-8-14(15)11-13/h13-17H,1-12H2.
What are the key properties of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]cycloheptanamine?
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]cycloheptanamine has a molecular weight of 235.41 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]cycloheptanamine is sourced from PubChem (CID 63506248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).