3-methylheptan-1-amine;propan-2-one

C11H25NO — CID 145353822

IUPAC3-methylheptan-1-amine;propan-2-one
SMILESCC(C)=O.CCCCC(C)CCN
InChIInChI=1S/C8H19N.C3H6O/c1-3-4-5-8(2)6-7-9;1-3(2)4/h8H,3-7,9H2,1-2H3;1-2H3
InChIKeyGOTZRIHPUKEEON-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.76
Rot. Bonds5

About 3-methylheptan-1-amine;propan-2-one

3-methylheptan-1-amine;propan-2-one (PubChem CID 145353822) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 3-methylheptan-1-amine;propan-2-one.

Molecular Properties

Compound Name3-methylheptan-1-amine;propan-2-one
PubChem CID145353822
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name3-methylheptan-1-amine;propan-2-one
SMILESCC(C)=O.CCCCC(C)CCN
InChIInChI=1S/C8H19N.C3H6O/c1-3-4-5-8(2)6-7-9;1-3(2)4/h8H,3-7,9H2,1-2H3;1-2H3
InChIKeyGOTZRIHPUKEEON-UHFFFAOYSA-N
XLogP2.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylpentadecan-1-amine
CID 57147657
1-amino-3-methyloctadecan-6-one
CID 116581699
9-amino-7-methylnonan-4-one
CID 116581538
bis(2-methylhexyl) (Z)-2,3-dimethylbut-2-enedioate
CID 175563322
(6S)-2,6-dimethyldecan-3-one
CID 71584493
4,8-dimethyldodecanoic acid
CID 5282617
ethane;4-methyloctanoic acid
CID 171811977
bis(4-methyloctyl) butanedioate
CID 177339681
3-methylheptyl carbonochloridate
CID 20702686
hexadecan-1-amine;propan-2-one
CID 175396285
(3R)-3,7-dimethyloctan-1-amine
CID 92974894
4-methylheptan-1-amine
CID 18618988

Frequently Asked Questions

What is the IUPAC name of 3-methylheptan-1-amine;propan-2-one?
The IUPAC name of 3-methylheptan-1-amine;propan-2-one (CID 145353822) is 3-methylheptan-1-amine;propan-2-one.
What is the SMILES notation for 3-methylheptan-1-amine;propan-2-one?
The canonical SMILES for 3-methylheptan-1-amine;propan-2-one is CC(C)=O.CCCCC(C)CCN.
What is the InChIKey of 3-methylheptan-1-amine;propan-2-one?
The InChIKey is GOTZRIHPUKEEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C3H6O/c1-3-4-5-8(2)6-7-9;1-3(2)4/h8H,3-7,9H2,1-2H3;1-2H3.
What are the key properties of 3-methylheptan-1-amine;propan-2-one?
3-methylheptan-1-amine;propan-2-one has a molecular weight of 187.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylheptan-1-amine;propan-2-one is sourced from PubChem (CID 145353822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).