N-ethyl-1-propan-2-yl-N-pyrrolidin-3-ylazepan-4-amine

C15H31N3 — CID 65077931

IUPACN-ethyl-1-propan-2-yl-N-pyrrolidin-3-ylazepan-4-amine
SMILESCCN(C1CCCN(C(C)C)CC1)C1CCNC1
InChIInChI=1S/C15H31N3/c1-4-18(15-7-9-16-12-15)14-6-5-10-17(11-8-14)13(2)3/h13-16H,4-12H2,1-3H3
InChIKeyWVNMEHHKOJYSOA-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.93
Rot. Bonds4

About N-ethyl-1-propan-2-yl-N-pyrrolidin-3-ylazepan-4-amine

N-ethyl-1-propan-2-yl-N-pyrrolidin-3-ylazepan-4-amine (PubChem CID 65077931) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-ethyl-1-propan-2-yl-N-pyrrolidin-3-ylazepan-4-amine.

Molecular Properties

Compound NameN-ethyl-1-propan-2-yl-N-pyrrolidin-3-ylazepan-4-amine
PubChem CID65077931
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-ethyl-1-propan-2-yl-N-pyrrolidin-3-ylazepan-4-amine
SMILESCCN(C1CCCN(C(C)C)CC1)C1CCNC1
InChIInChI=1S/C15H31N3/c1-4-18(15-7-9-16-12-15)14-6-5-10-17(11-8-14)13(2)3/h13-16H,4-12H2,1-3H3
InChIKeyWVNMEHHKOJYSOA-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-N-Ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 7141622
3-Methyl-3,8-diazabicyclo(3.2.1)octane
CID 12378900
3-(Diethylamino)pyrrolidine
CID 19961995
1-[3-(Pyrrolidin-1-yl)propyl]-1,4-diazepane
CID 2737251
N-(3-Azepanyl)-N-methylamine
CID 2756577
N-Ethyl-N-[(2R)-2-pyrrolidinylmethyl]ethanamine
CID 7141624
(S)-(1-propylpyrrolidin-2-yl)methanamine
CID 12829005
[(2S)-1-butylpyrrolidin-2-yl]methanamine
CID 12829008
9-Methyl-3,9-diazabicyclo[4.2.1]nonane
CID 13973730
N,1-Diethylpyrrolidin-3-amine
CID 14153712
1-(Azepan-1-yl)propan-2-amine
CID 16643484
1-Cyclopentyl-1,4-diazepane
CID 16782230

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-propan-2-yl-N-pyrrolidin-3-ylazepan-4-amine?
The IUPAC name of N-ethyl-1-propan-2-yl-N-pyrrolidin-3-ylazepan-4-amine (CID 65077931) is N-ethyl-1-propan-2-yl-N-pyrrolidin-3-ylazepan-4-amine.
What is the SMILES notation for N-ethyl-1-propan-2-yl-N-pyrrolidin-3-ylazepan-4-amine?
The canonical SMILES for N-ethyl-1-propan-2-yl-N-pyrrolidin-3-ylazepan-4-amine is CCN(C1CCCN(C(C)C)CC1)C1CCNC1.
What is the InChIKey of N-ethyl-1-propan-2-yl-N-pyrrolidin-3-ylazepan-4-amine?
The InChIKey is WVNMEHHKOJYSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-4-18(15-7-9-16-12-15)14-6-5-10-17(11-8-14)13(2)3/h13-16H,4-12H2,1-3H3.
What are the key properties of N-ethyl-1-propan-2-yl-N-pyrrolidin-3-ylazepan-4-amine?
N-ethyl-1-propan-2-yl-N-pyrrolidin-3-ylazepan-4-amine has a molecular weight of 253.43 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-propan-2-yl-N-pyrrolidin-3-ylazepan-4-amine is sourced from PubChem (CID 65077931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).