N-methyloctan-1-amine;propan-1-ol

C12H29NO — CID 88540071

IUPACN-methyloctan-1-amine;propan-1-ol
SMILESCCCCCCCCNC.CCCO
InChIInChI=1S/C9H21N.C3H8O/c1-3-4-5-6-7-8-9-10-2;1-2-3-4/h10H,3-9H2,1-2H3;4H,2-3H2,1H3
InChIKeyHLAHCBULXNBFEH-UHFFFAOYSA-N
MW203.37 g/mol
LogP2.95
Rot. Bonds8

About N-methyloctan-1-amine;propan-1-ol

N-methyloctan-1-amine;propan-1-ol (PubChem CID 88540071) has the molecular formula C12H29NO and a molecular weight of 203.37 g/mol. Its IUPAC name is N-methyloctan-1-amine;propan-1-ol.

Molecular Properties

Compound NameN-methyloctan-1-amine;propan-1-ol
PubChem CID88540071
Molecular FormulaC12H29NO
Molecular Weight203.37 g/mol
Exact Mass203.22
IUPAC NameN-methyloctan-1-amine;propan-1-ol
SMILESCCCCCCCCNC.CCCO
InChIInChI=1S/C9H21N.C3H8O/c1-3-4-5-6-7-8-9-10-2;1-2-3-4/h10H,3-9H2,1-2H3;4H,2-3H2,1H3
InChIKeyHLAHCBULXNBFEH-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.37
LogP ≤ 52.95
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

N-methyltriacontan-1-amine
CID 19840895
hydroxylamine;N-methyloctan-1-amine
CID 144676839
N-methyltridecan-1-amine;molecular hydrogen
CID 153363446
2-hydroxyethyl(trimethyl)azanium;N-methylhexadecan-1-amine
CID 146290768
N-methylheptan-1-amine;molecular hydrogen;propane
CID 144955567
dihydroxy(oxo)phosphanium;N-methyloctadecan-1-amine
CID 19904990
tris(N-methyldodecan-1-amine);phosphoric acid
CID 175134049
decane;propan-1-ol
CID 157421705
N'-dodecyl-N-methylpropane-1,3-diamine
CID 19812622
N'-hexadecyl-N-methylpropane-1,3-diamine
CID 46736042
N-methylpentan-1-amine;phosphoric acid
CID 175529105
1-chloropentane;N-methyloctan-1-amine
CID 174674151

Frequently Asked Questions

What is the IUPAC name of N-methyloctan-1-amine;propan-1-ol?
The IUPAC name of N-methyloctan-1-amine;propan-1-ol (CID 88540071) is N-methyloctan-1-amine;propan-1-ol.
What is the SMILES notation for N-methyloctan-1-amine;propan-1-ol?
The canonical SMILES for N-methyloctan-1-amine;propan-1-ol is CCCCCCCCNC.CCCO.
What is the InChIKey of N-methyloctan-1-amine;propan-1-ol?
The InChIKey is HLAHCBULXNBFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C3H8O/c1-3-4-5-6-7-8-9-10-2;1-2-3-4/h10H,3-9H2,1-2H3;4H,2-3H2,1H3.
What are the key properties of N-methyloctan-1-amine;propan-1-ol?
N-methyloctan-1-amine;propan-1-ol has a molecular weight of 203.37 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyloctan-1-amine;propan-1-ol is sourced from PubChem (CID 88540071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).