N-methyl-3-(3-propan-2-ylazetidin-1-yl)propan-1-amine

C10H22N2 — CID 79678218

IUPACN-methyl-3-(3-propan-2-ylazetidin-1-yl)propan-1-amine
SMILESCNCCCN1CC(C(C)C)C1
InChIInChI=1S/C10H22N2/c1-9(2)10-7-12(8-10)6-4-5-11-3/h9-11H,4-8H2,1-3H3
InChIKeyURQPKRKPZGEBRL-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.18
Rot. Bonds5

About N-methyl-3-(3-propan-2-ylazetidin-1-yl)propan-1-amine

N-methyl-3-(3-propan-2-ylazetidin-1-yl)propan-1-amine (PubChem CID 79678218) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N-methyl-3-(3-propan-2-ylazetidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(3-propan-2-ylazetidin-1-yl)propan-1-amine
PubChem CID79678218
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN-methyl-3-(3-propan-2-ylazetidin-1-yl)propan-1-amine
SMILESCNCCCN1CC(C(C)C)C1
InChIInChI=1S/C10H22N2/c1-9(2)10-7-12(8-10)6-4-5-11-3/h9-11H,4-8H2,1-3H3
InChIKeyURQPKRKPZGEBRL-UHFFFAOYSA-N
XLogP1.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
CID 103497352
4-(3-propan-2-ylazetidin-1-yl)butan-1-ol
CID 106844128
4-(3-propan-2-ylazetidin-1-yl)butanoic acid
CID 79687036
N-methyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62775254
4-(2,6-dimethylmorpholin-4-yl)-N-methylbutan-1-amine
CID 60842262
N-[3-(4-propan-2-ylpiperidin-1-yl)propyl]methanesulfonamide
CID 59542595
methyl 3-[3-(methylamino)propyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 115071461
N-methyl-3-pyrrolidin-1-ylpropan-1-amine;molecular hydrogen
CID 143591105
ethane;N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 143417391
N-methyl-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 59478173
2-(3-propan-2-ylazetidin-1-yl)ethanesulfinate
CID 134170598
(3S)-1-[6-(methylamino)hexyl]-N-propan-2-ylpyrrolidin-3-amine
CID 167253643

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-propan-2-ylazetidin-1-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(3-propan-2-ylazetidin-1-yl)propan-1-amine (CID 79678218) is N-methyl-3-(3-propan-2-ylazetidin-1-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(3-propan-2-ylazetidin-1-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(3-propan-2-ylazetidin-1-yl)propan-1-amine is CNCCCN1CC(C(C)C)C1.
What is the InChIKey of N-methyl-3-(3-propan-2-ylazetidin-1-yl)propan-1-amine?
The InChIKey is URQPKRKPZGEBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-9(2)10-7-12(8-10)6-4-5-11-3/h9-11H,4-8H2,1-3H3.
What are the key properties of N-methyl-3-(3-propan-2-ylazetidin-1-yl)propan-1-amine?
N-methyl-3-(3-propan-2-ylazetidin-1-yl)propan-1-amine has a molecular weight of 170.30 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-propan-2-ylazetidin-1-yl)propan-1-amine is sourced from PubChem (CID 79678218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).