7-amino-4-methylideneheptan-1-ol

C8H17NO — CID 174330037

IUPAC7-amino-4-methylideneheptan-1-ol
SMILESC=C(CCCN)CCCO
InChIInChI=1S/C8H17NO/c1-8(4-2-6-9)5-3-7-10/h10H,1-7,9H2
InChIKeyKDJCUIVHGZJGCJ-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.05
Rot. Bonds6

About 7-amino-4-methylideneheptan-1-ol

7-amino-4-methylideneheptan-1-ol (PubChem CID 174330037) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 7-amino-4-methylideneheptan-1-ol.

Molecular Properties

Compound Name7-amino-4-methylideneheptan-1-ol
PubChem CID174330037
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name7-amino-4-methylideneheptan-1-ol
SMILESC=C(CCCN)CCCO
InChIInChI=1S/C8H17NO/c1-8(4-2-6-9)5-3-7-10/h10H,1-7,9H2
InChIKeyKDJCUIVHGZJGCJ-UHFFFAOYSA-N
XLogP1.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-methyl-4-methylidenenonan-1-amine
CID 134380496
3-aminopropan-1-ol;ethane
CID 91172061
36-aminohexatriacontan-1-ol
CID 87686190
sodium;3-aminopropan-1-ol;hydride
CID 173357693
3-aminopropan-1-ol;ethenol
CID 87392158
2-aminoethanol;butane-1,4-diol
CID 135347340
3,6,9-trimethylidenetridecan-1-amine
CID 167182420
6-aminohexan-1-ol;hydrochloride
CID 21259387
12-aminododecan-1-ol;2-methylprop-2-enoic acid
CID 175402226
5-methylidene-9-tris(trimethylsilyloxy)silylnonan-1-ol
CID 175981692
4-[bis(2,2,2-trifluoroethoxy)silyl]pent-4-en-1-amine
CID 173400833
3-aminopropan-1-ol;N,N-dimethylmethanamine;dihydrate
CID 174295610

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-methylideneheptan-1-ol?
The IUPAC name of 7-amino-4-methylideneheptan-1-ol (CID 174330037) is 7-amino-4-methylideneheptan-1-ol.
What is the SMILES notation for 7-amino-4-methylideneheptan-1-ol?
The canonical SMILES for 7-amino-4-methylideneheptan-1-ol is C=C(CCCN)CCCO.
What is the InChIKey of 7-amino-4-methylideneheptan-1-ol?
The InChIKey is KDJCUIVHGZJGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(4-2-6-9)5-3-7-10/h10H,1-7,9H2.
What are the key properties of 7-amino-4-methylideneheptan-1-ol?
7-amino-4-methylideneheptan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-methylideneheptan-1-ol is sourced from PubChem (CID 174330037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).