N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine

C15H32N2 — CID 106602941

IUPACN-propan-2-yl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine
SMILESCCCCC(CC)N(CC1CCCN1)C(C)C
InChIInChI=1S/C15H32N2/c1-5-7-10-15(6-2)17(13(3)4)12-14-9-8-11-16-14/h13-16H,5-12H2,1-4H3
InChIKeyZRUFAKZNYGRXPQ-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.42
Rot. Bonds8

About N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine

N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine (PubChem CID 106602941) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine
PubChem CID106602941
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-propan-2-yl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine
SMILESCCCCC(CC)N(CC1CCCN1)C(C)C
InChIInChI=1S/C15H32N2/c1-5-7-10-15(6-2)17(13(3)4)12-14-9-8-11-16-14/h13-16H,5-12H2,1-4H3
InChIKeyZRUFAKZNYGRXPQ-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine
CID 106603407
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106603221
3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine
CID 106602821
1-cyclopropyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603245
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)hexan-3-amine
CID 114079715
N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-2-amine
CID 106603679
N-(2-methylpropyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pentan-3-amine
CID 104870302
4-methoxy-4-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine
CID 106602818
N-ethyl-N-(pyrrolidin-2-ylmethyl)nonan-2-amine
CID 106603643
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine
CID 104870141
2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106614462

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine?
The IUPAC name of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine (CID 106602941) is N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine.
What is the SMILES notation for N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine?
The canonical SMILES for N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine is CCCCC(CC)N(CC1CCCN1)C(C)C.
What is the InChIKey of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine?
The InChIKey is ZRUFAKZNYGRXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-7-10-15(6-2)17(13(3)4)12-14-9-8-11-16-14/h13-16H,5-12H2,1-4H3.
What are the key properties of N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine?
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine has a molecular weight of 240.43 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine is sourced from PubChem (CID 106602941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).