CID 101454791

C9H18N — CID 101454791

IUPAC—
SMILESC=C(CCCC)CCC[NH]
InChIInChI=1S/C9H18N/c1-3-4-6-9(2)7-5-8-10/h10H,2-8H2,1H3
InChIKeyUCWQIGVKRBNBOW-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.80
Rot. Bonds6

About CID 101454791

CID 101454791 (PubChem CID 101454791) has the molecular formula C9H18N and a molecular weight of 140.25 g/mol.

Molecular Properties

Compound NameCID 101454791
PubChem CID101454791
Molecular FormulaC9H18N
Molecular Weight140.25 g/mol
Exact Mass140.14
IUPAC Name—
SMILESC=C(CCCC)CCC[NH]
InChIInChI=1S/C9H18N/c1-3-4-6-9(2)7-5-8-10/h10H,2-8H2,1H3
InChIKeyUCWQIGVKRBNBOW-UHFFFAOYSA-N
XLogP2.80
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-methylidenedodecane
CID 21453027
6-methylidenetetradecane
CID 21477883
19-methylideneheptatriacontane;titanium
CID 174477367
3,6,9-trimethylidenetridecan-1-amine
CID 167182420
4-methylidenenonadecane
CID 139983203
4-methylidenetricosane
CID 139983205
2-chlorohex-1-ene
CID 10986202
1,1,1-trifluoro-4-methylideneoctane
CID 146018304
N,N-diethyl-3-methylideneheptan-1-amine
CID 134980588
3,8-dimethylidenetetradecane
CID 173410299
8-methylidenedodec-1-ene
CID 169088157
dodecanoic acid;5-methylidenenonane
CID 87640526

Frequently Asked Questions

What is the IUPAC name of CID 101454791?
The IUPAC name of CID 101454791 (CID 101454791) is not available.
What is the SMILES notation for CID 101454791?
The canonical SMILES for CID 101454791 is C=C(CCCC)CCC[NH].
What is the InChIKey of CID 101454791?
The InChIKey is UCWQIGVKRBNBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N/c1-3-4-6-9(2)7-5-8-10/h10H,2-8H2,1H3.
What are the key properties of CID 101454791?
CID 101454791 has a molecular weight of 140.25 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101454791 is sourced from PubChem (CID 101454791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).