N,3-dimethyl-1-propan-2-ylazepan-4-amine

C11H24N2 — CID 142347784

IUPACN,3-dimethyl-1-propan-2-ylazepan-4-amine
SMILESCNC1CCCN(C(C)C)CC1C
InChIInChI=1S/C11H24N2/c1-9(2)13-7-5-6-11(12-4)10(3)8-13/h9-12H,5-8H2,1-4H3
InChIKeyJKOOXJGEAUYRAP-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.71
Rot. Bonds2

About N,3-dimethyl-1-propan-2-ylazepan-4-amine

N,3-dimethyl-1-propan-2-ylazepan-4-amine (PubChem CID 142347784) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N,3-dimethyl-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-propan-2-ylazepan-4-amine
PubChem CID142347784
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN,3-dimethyl-1-propan-2-ylazepan-4-amine
SMILESCNC1CCCN(C(C)C)CC1C
InChIInChI=1S/C11H24N2/c1-9(2)13-7-5-6-11(12-4)10(3)8-13/h9-12H,5-8H2,1-4H3
InChIKeyJKOOXJGEAUYRAP-UHFFFAOYSA-N
XLogP1.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-fluoro-N-methyl-1-propan-2-ylazepan-4-amine
CID 142347878
(3R,4R)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 170359650
(3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 147690479
N,3-dimethyl-1-propan-2-yloxypiperidin-4-amine
CID 130654788
(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 55299463
N-(2-methylcyclopentyl)-1-propan-2-ylpyrrolidin-3-amine
CID 63277763
N,N-dimethyl-2-[3-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 114499126
tert-butyl formate;N-methyl-1-propan-2-ylpiperidin-3-amine
CID 142327095
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
(3S,4S)-1-propan-2-ylazepane-3,4-diol
CID 166157364
(3S)-3-methyl-1,4-di(propan-2-yl)piperidine
CID 139299028
N-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
CID 177033452

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-propan-2-ylazepan-4-amine?
The IUPAC name of N,3-dimethyl-1-propan-2-ylazepan-4-amine (CID 142347784) is N,3-dimethyl-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for N,3-dimethyl-1-propan-2-ylazepan-4-amine?
The canonical SMILES for N,3-dimethyl-1-propan-2-ylazepan-4-amine is CNC1CCCN(C(C)C)CC1C.
What is the InChIKey of N,3-dimethyl-1-propan-2-ylazepan-4-amine?
The InChIKey is JKOOXJGEAUYRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-9(2)13-7-5-6-11(12-4)10(3)8-13/h9-12H,5-8H2,1-4H3.
What are the key properties of N,3-dimethyl-1-propan-2-ylazepan-4-amine?
N,3-dimethyl-1-propan-2-ylazepan-4-amine has a molecular weight of 184.33 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 142347784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).