N'-[[(5R)-6-fluoro-7-methyl-3-bicyclo[3.3.1]non-1(8)-enyl]methyl]pentane-1,5-diamine

C16H29FN2 — CID 167030897

IUPACN'-[[(5R)-6-fluoro-7-methyl-3-bicyclo[3.3.1]non-1(8)-enyl]methyl]pentane-1,5-diamine
SMILESCC1C=C2CC(CNCCCCCN)C[C@H](C2)C1F
InChIInChI=1S/C16H29FN2/c1-12-7-13-8-14(10-15(9-13)16(12)17)11-19-6-4-2-3-5-18/h7,12,14-16,19H,2-6,8-11,18H2,1H3/t12?,14?,15-,16?/m0/s1
InChIKeyUUQZQEMTWXBPJB-YLECJSOOSA-N
MW268.42 g/mol
LogP3.04
Rot. Bonds7

About N'-[[(5R)-6-fluoro-7-methyl-3-bicyclo[3.3.1]non-1(8)-enyl]methyl]pentane-1,5-diamine

N'-[[(5R)-6-fluoro-7-methyl-3-bicyclo[3.3.1]non-1(8)-enyl]methyl]pentane-1,5-diamine (PubChem CID 167030897) has the molecular formula C16H29FN2 and a molecular weight of 268.42 g/mol. Its IUPAC name is N'-[[(5R)-6-fluoro-7-methyl-3-bicyclo[3.3.1]non-1(8)-enyl]methyl]pentane-1,5-diamine.

Molecular Properties

Compound NameN'-[[(5R)-6-fluoro-7-methyl-3-bicyclo[3.3.1]non-1(8)-enyl]methyl]pentane-1,5-diamine
PubChem CID167030897
Molecular FormulaC16H29FN2
Molecular Weight268.42 g/mol
Exact Mass268.23
IUPAC NameN'-[[(5R)-6-fluoro-7-methyl-3-bicyclo[3.3.1]non-1(8)-enyl]methyl]pentane-1,5-diamine
SMILESCC1C=C2CC(CNCCCCCN)C[C@H](C2)C1F
InChIInChI=1S/C16H29FN2/c1-12-7-13-8-14(10-15(9-13)16(12)17)11-19-6-4-2-3-5-18/h7,12,14-16,19H,2-6,8-11,18H2,1H3/t12?,14?,15-,16?/m0/s1
InChIKeyUUQZQEMTWXBPJB-YLECJSOOSA-N
XLogP3.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N'-[[(5R)-6-fluoro-7-methyl-3-bicyclo[3.3.1]non-1(8)-enyl]methyl]pentane-1,5-diamine?
The IUPAC name of N'-[[(5R)-6-fluoro-7-methyl-3-bicyclo[3.3.1]non-1(8)-enyl]methyl]pentane-1,5-diamine (CID 167030897) is N'-[[(5R)-6-fluoro-7-methyl-3-bicyclo[3.3.1]non-1(8)-enyl]methyl]pentane-1,5-diamine.
What is the SMILES notation for N'-[[(5R)-6-fluoro-7-methyl-3-bicyclo[3.3.1]non-1(8)-enyl]methyl]pentane-1,5-diamine?
The canonical SMILES for N'-[[(5R)-6-fluoro-7-methyl-3-bicyclo[3.3.1]non-1(8)-enyl]methyl]pentane-1,5-diamine is CC1C=C2CC(CNCCCCCN)C[C@H](C2)C1F.
What is the InChIKey of N'-[[(5R)-6-fluoro-7-methyl-3-bicyclo[3.3.1]non-1(8)-enyl]methyl]pentane-1,5-diamine?
The InChIKey is UUQZQEMTWXBPJB-YLECJSOOSA-N. The full InChI is InChI=1S/C16H29FN2/c1-12-7-13-8-14(10-15(9-13)16(12)17)11-19-6-4-2-3-5-18/h7,12,14-16,19H,2-6,8-11,18H2,1H3/t12?,14?,15-,16?/m0/s1.
What are the key properties of N'-[[(5R)-6-fluoro-7-methyl-3-bicyclo[3.3.1]non-1(8)-enyl]methyl]pentane-1,5-diamine?
N'-[[(5R)-6-fluoro-7-methyl-3-bicyclo[3.3.1]non-1(8)-enyl]methyl]pentane-1,5-diamine has a molecular weight of 268.42 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(5R)-6-fluoro-7-methyl-3-bicyclo[3.3.1]non-1(8)-enyl]methyl]pentane-1,5-diamine is sourced from PubChem (CID 167030897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).