N-methyl-3-propylheptan-2-amine

C11H25N — CID 123465909

IUPACN-methyl-3-propylheptan-2-amine
SMILESCCCCC(CCC)C(C)NC
InChIInChI=1S/C11H25N/c1-5-7-9-11(8-6-2)10(3)12-4/h10-12H,5-9H2,1-4H3
InChIKeyZQQNBXLHFOXRTJ-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.20
Rot. Bonds7

About N-methyl-3-propylheptan-2-amine

N-methyl-3-propylheptan-2-amine (PubChem CID 123465909) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is N-methyl-3-propylheptan-2-amine.

Molecular Properties

Compound NameN-methyl-3-propylheptan-2-amine
PubChem CID123465909
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC NameN-methyl-3-propylheptan-2-amine
SMILESCCCCC(CCC)C(C)NC
InChIInChI=1S/C11H25N/c1-5-7-9-11(8-6-2)10(3)12-4/h10-12H,5-9H2,1-4H3
InChIKeyZQQNBXLHFOXRTJ-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,4-N-dimethyl-3-propylpentane-1,4-diamine
CID 143945019
(2R,3R)-2-N-methylheptane-2,3-diamine
CID 88890786
4,5-diethylnonane
CID 21188862
6,7-dimethyl-5-propyldodecane
CID 123459990
4-propan-2-yl-5-propylnonane
CID 54297700
6,7-dipropyldodecane
CID 529940
4,5-dipropylnonane;5-propylnonane
CID 157465342
2-butyl-3-propylbutane-1,4-diol
CID 87266771
2,2,3-trimethyl-4-propyloctane
CID 57492614
7-ethyl-N,2-dimethylundecan-6-amine
CID 105028702
4,5-dipropyltetradecane
CID 21490606
8-hexyl-7-propyltriacontane
CID 21490607

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-propylheptan-2-amine?
The IUPAC name of N-methyl-3-propylheptan-2-amine (CID 123465909) is N-methyl-3-propylheptan-2-amine.
What is the SMILES notation for N-methyl-3-propylheptan-2-amine?
The canonical SMILES for N-methyl-3-propylheptan-2-amine is CCCCC(CCC)C(C)NC.
What is the InChIKey of N-methyl-3-propylheptan-2-amine?
The InChIKey is ZQQNBXLHFOXRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-5-7-9-11(8-6-2)10(3)12-4/h10-12H,5-9H2,1-4H3.
What are the key properties of N-methyl-3-propylheptan-2-amine?
N-methyl-3-propylheptan-2-amine has a molecular weight of 171.33 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-propylheptan-2-amine is sourced from PubChem (CID 123465909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).