N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine

C14H30N2 — CID 106603407

IUPACN-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine
SMILESCCCCC(CC)N(CC)CC1CCCN1
InChIInChI=1S/C14H30N2/c1-4-7-10-14(5-2)16(6-3)12-13-9-8-11-15-13/h13-15H,4-12H2,1-3H3
InChIKeyDNYMJYQIRQARDM-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.03
Rot. Bonds8

About N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine

N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine (PubChem CID 106603407) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine
PubChem CID106603407
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine
SMILESCCCCC(CC)N(CC)CC1CCCN1
InChIInChI=1S/C14H30N2/c1-4-7-10-14(5-2)16(6-3)12-13-9-8-11-15-13/h13-15H,4-12H2,1-3H3
InChIKeyDNYMJYQIRQARDM-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine
CID 106602941
N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-2-amine
CID 106603679
N-ethyl-N-(pyrrolidin-2-ylmethyl)nonan-2-amine
CID 106603643
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)hexan-3-amine
CID 114079715
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
N-(2-methylpropyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pentan-3-amine
CID 104870302
N-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine
CID 64570168
2-[nonan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106607007
N-(piperidin-2-ylmethyl)-N-propyloctan-2-amine
CID 106623511
N-butyl-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine
CID 106616774
N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604972

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine?
The IUPAC name of N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine (CID 106603407) is N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine.
What is the SMILES notation for N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine?
The canonical SMILES for N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine is CCCCC(CC)N(CC)CC1CCCN1.
What is the InChIKey of N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine?
The InChIKey is DNYMJYQIRQARDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-4-7-10-14(5-2)16(6-3)12-13-9-8-11-15-13/h13-15H,4-12H2,1-3H3.
What are the key properties of N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine?
N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine has a molecular weight of 226.41 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine is sourced from PubChem (CID 106603407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).