octan-1-amine;N-propan-2-ylpropan-2-amine

C14H34N2 — CID 174973073

IUPACoctan-1-amine;N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)C.CCCCCCCCN
InChIInChI=1S/C8H19N.C6H15N/c1-2-3-4-5-6-7-8-9;1-5(2)7-6(3)4/h2-9H2,1H3;5-7H,1-4H3
InChIKeyHMHOZHXJUSXMCS-UHFFFAOYSA-N
MW230.44 g/mol
LogP3.70
Rot. Bonds8

About octan-1-amine;N-propan-2-ylpropan-2-amine

octan-1-amine;N-propan-2-ylpropan-2-amine (PubChem CID 174973073) has the molecular formula C14H34N2 and a molecular weight of 230.44 g/mol. Its IUPAC name is octan-1-amine;N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Nameoctan-1-amine;N-propan-2-ylpropan-2-amine
PubChem CID174973073
Molecular FormulaC14H34N2
Molecular Weight230.44 g/mol
Exact Mass230.27
IUPAC Nameoctan-1-amine;N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)C.CCCCCCCCN
InChIInChI=1S/C8H19N.C6H15N/c1-2-3-4-5-6-7-8-9;1-5(2)7-6(3)4/h2-9H2,1H3;5-7H,1-4H3
InChIKeyHMHOZHXJUSXMCS-UHFFFAOYSA-N
XLogP3.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.44
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butan-1-amine;dodecan-1-amine
CID 158532895
hexadecan-1-amine;2-methylpropane;hydrochloride
CID 173319853
butane-1,4-diamine;hexan-1-amine
CID 162097736
tridecan-1-amine;undecan-1-amine
CID 23045943
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
dodecan-1-amine;bis(propan-2-ol)
CID 19742183
hexadecan-1-amine;hydroiodide
CID 173125534
octadecan-1-amine;hydrate
CID 158026408
octadecan-1-amine;trihydrochloride
CID 175177898
copper;hexan-1-amine
CID 87269039

Frequently Asked Questions

What is the IUPAC name of octan-1-amine;N-propan-2-ylpropan-2-amine?
The IUPAC name of octan-1-amine;N-propan-2-ylpropan-2-amine (CID 174973073) is octan-1-amine;N-propan-2-ylpropan-2-amine.
What is the SMILES notation for octan-1-amine;N-propan-2-ylpropan-2-amine?
The canonical SMILES for octan-1-amine;N-propan-2-ylpropan-2-amine is CC(C)NC(C)C.CCCCCCCCN.
What is the InChIKey of octan-1-amine;N-propan-2-ylpropan-2-amine?
The InChIKey is HMHOZHXJUSXMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C6H15N/c1-2-3-4-5-6-7-8-9;1-5(2)7-6(3)4/h2-9H2,1H3;5-7H,1-4H3.
What are the key properties of octan-1-amine;N-propan-2-ylpropan-2-amine?
octan-1-amine;N-propan-2-ylpropan-2-amine has a molecular weight of 230.44 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octan-1-amine;N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 174973073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).