N-methylheptan-1-amine;molecular hydrogen;propane

C11H29N — CID 144955567

IUPACN-methylheptan-1-amine;molecular hydrogen;propane
SMILESCCC.CCCCCCCNC.[H][H]
InChIInChI=1S/C8H19N.C3H8.H2/c1-3-4-5-6-7-8-9-2;1-3-2;/h9H,3-8H2,1-2H3;3H2,1-2H3;1H
InChIKeyZBODZSNPKGGXRD-UHFFFAOYSA-N
MW175.36 g/mol
LogP3.84
Rot. Bonds6

About N-methylheptan-1-amine;molecular hydrogen;propane

N-methylheptan-1-amine;molecular hydrogen;propane (PubChem CID 144955567) has the molecular formula C11H29N and a molecular weight of 175.36 g/mol. Its IUPAC name is N-methylheptan-1-amine;molecular hydrogen;propane.

Molecular Properties

Compound NameN-methylheptan-1-amine;molecular hydrogen;propane
PubChem CID144955567
Molecular FormulaC11H29N
Molecular Weight175.36 g/mol
Exact Mass175.23
IUPAC NameN-methylheptan-1-amine;molecular hydrogen;propane
SMILESCCC.CCCCCCCNC.[H][H]
InChIInChI=1S/C8H19N.C3H8.H2/c1-3-4-5-6-7-8-9-2;1-3-2;/h9H,3-8H2,1-2H3;3H2,1-2H3;1H
InChIKeyZBODZSNPKGGXRD-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyltridecan-1-amine;molecular hydrogen
CID 153363446
N-methyltriacontan-1-amine
CID 19840895
hydroxylamine;N-methyloctan-1-amine
CID 144676839
N,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen
CID 176578398
N'-hexadecyl-N-methylpropane-1,3-diamine
CID 46736042
N'-dodecyl-N-methylpropane-1,3-diamine
CID 19812622
N-methyloctan-1-amine;propan-1-ol
CID 88540071
ethane;N-methylbutan-1-amine;propane
CID 142092371
1-chloropentane;N-methyloctan-1-amine
CID 174674151
N-methylbutan-1-amine
CID 8068
tris(N-methyldodecan-1-amine);phosphoric acid
CID 175134049
dihydroxy(oxo)phosphanium;N-methyloctadecan-1-amine
CID 19904990

Frequently Asked Questions

What is the IUPAC name of N-methylheptan-1-amine;molecular hydrogen;propane?
The IUPAC name of N-methylheptan-1-amine;molecular hydrogen;propane (CID 144955567) is N-methylheptan-1-amine;molecular hydrogen;propane.
What is the SMILES notation for N-methylheptan-1-amine;molecular hydrogen;propane?
The canonical SMILES for N-methylheptan-1-amine;molecular hydrogen;propane is CCC.CCCCCCCNC.[H][H].
What is the InChIKey of N-methylheptan-1-amine;molecular hydrogen;propane?
The InChIKey is ZBODZSNPKGGXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C3H8.H2/c1-3-4-5-6-7-8-9-2;1-3-2;/h9H,3-8H2,1-2H3;3H2,1-2H3;1H.
What are the key properties of N-methylheptan-1-amine;molecular hydrogen;propane?
N-methylheptan-1-amine;molecular hydrogen;propane has a molecular weight of 175.36 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylheptan-1-amine;molecular hydrogen;propane is sourced from PubChem (CID 144955567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).