N-[[1-(bromomethyl)cyclopentyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide

C16H24BrNO — CID 114097212

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(NCC1(CBr)CCCC1)C1C2C3CCC(C3)C12
InChIInChI=1S/C16H24BrNO/c17-8-16(5-1-2-6-16)9-18-15(19)14-12-10-3-4-11(7-10)13(12)14/h10-14H,1-9H2,(H,18,19)
InChIKeySQTCYXILHYRIBV-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.35
Rot. Bonds4

About N-[[1-(bromomethyl)cyclopentyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide

N-[[1-(bromomethyl)cyclopentyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 114097212) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID114097212
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(NCC1(CBr)CCCC1)C1C2C3CCC(C3)C12
InChIInChI=1S/C16H24BrNO/c17-8-16(5-1-2-6-16)9-18-15(19)14-12-10-3-4-11(7-10)13(12)14/h10-14H,1-9H2,(H,18,19)
InChIKeySQTCYXILHYRIBV-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(1-aminocyclohexyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride
CID 119404440
N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 115456221
N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 115456224
N-[[1-(bromomethyl)cyclopropyl]methyl]cyclobutanecarboxamide
CID 115456256
N-[[1-(bromomethyl)cyclopentyl]methyl]thiane-2-carboxamide
CID 115364206
2-[[(1R,2R,4R,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid
CID 99849593
(1S,2R,4S,5R)-N-[[1-[[(5-methylpyrimidin-2-yl)amino]methyl]cyclopropyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 167845354
N-[3-(methylamino)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride
CID 119432515
N-[(2-aminocyclopentyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103806310
N-[[1-(bromomethyl)cyclohexyl]methyl]propanamide
CID 103969670
N-[(4-hydroxyphenyl)methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103801537
N-(3-ethyl-2-hydroxypentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103761209

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 114097212) is N-[[1-(bromomethyl)cyclopentyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide is O=C(NCC1(CBr)CCCC1)C1C2C3CCC(C3)C12.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is SQTCYXILHYRIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c17-8-16(5-1-2-6-16)9-18-15(19)14-12-10-3-4-11(7-10)13(12)14/h10-14H,1-9H2,(H,18,19).
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide?
N-[[1-(bromomethyl)cyclopentyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 326.28 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopentyl]methyl]tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 114097212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).