2-cyclopropyl-1-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propan-2-amine

C14H29N3 — CID 114087204

IUPAC2-cyclopropyl-1-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propan-2-amine
SMILESCCC1CN(C)CCCN1CC(C)(N)C1CC1
InChIInChI=1S/C14H29N3/c1-4-13-10-16(3)8-5-9-17(13)11-14(2,15)12-6-7-12/h12-13H,4-11,15H2,1-3H3
InChIKeyDCIDLWXRCSWGMY-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.53
Rot. Bonds4

About 2-cyclopropyl-1-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propan-2-amine

2-cyclopropyl-1-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propan-2-amine (PubChem CID 114087204) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propan-2-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propan-2-amine
PubChem CID114087204
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-cyclopropyl-1-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propan-2-amine
SMILESCCC1CN(C)CCCN1CC(C)(N)C1CC1
InChIInChI=1S/C14H29N3/c1-4-13-10-16(3)8-5-9-17(13)11-14(2,15)12-6-7-12/h12-13H,4-11,15H2,1-3H3
InChIKeyDCIDLWXRCSWGMY-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-methyl-1-(piperidin-3-ylmethyl)-1,4-diazepane
CID 114086520
2-ethyl-4-methyl-1-[(2-methylpiperidin-4-yl)methyl]-1,4-diazepane
CID 114087202
1-cyclopropyl-N-ethyl-2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)ethanamine
CID 114086713
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropylpropan-2-amine
CID 82750399
2-[(2-ethyl-4-methyl-1,4-diazepan-1-yl)methyl]pentane-1-thiol
CID 114086771
1-(2-ethylazepan-1-yl)-2-methylpentan-2-amine
CID 104690407
4-[(2-ethyl-4-methyl-1,4-diazepan-1-yl)methyl]-4-methyloxolan-3-amine
CID 114087166
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-methylbutan-2-ol
CID 114496600
2-cyclopropyl-1-(4,4-diethylpiperidin-1-yl)propan-2-amine
CID 55159305
2-(ethylamino)-3-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propanamide
CID 114087505
ethyl 2-[2-(2-ethyl-4-methyl-1,4-diazepan-1-yl)ethoxy]acetate
CID 114087313
ethane;3-ethyl-1-methylpiperidine
CID 142833851

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propan-2-amine?
The IUPAC name of 2-cyclopropyl-1-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propan-2-amine (CID 114087204) is 2-cyclopropyl-1-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propan-2-amine.
What is the SMILES notation for 2-cyclopropyl-1-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propan-2-amine?
The canonical SMILES for 2-cyclopropyl-1-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propan-2-amine is CCC1CN(C)CCCN1CC(C)(N)C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propan-2-amine?
The InChIKey is DCIDLWXRCSWGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-4-13-10-16(3)8-5-9-17(13)11-14(2,15)12-6-7-12/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propan-2-amine?
2-cyclopropyl-1-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propan-2-amine has a molecular weight of 239.41 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2-ethyl-4-methyl-1,4-diazepan-1-yl)propan-2-amine is sourced from PubChem (CID 114087204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).