N-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine

C19H38N2 — CID 106604985

IUPACN-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine
SMILESCCCCN(CC1CCCN1)C1CCCC(C(C)C)CC1
InChIInChI=1S/C19H38N2/c1-4-5-14-21(15-18-9-7-13-20-18)19-10-6-8-17(11-12-19)16(2)3/h16-20H,4-15H2,1-3H3
InChIKeyJOEPCILYUXKFGG-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.45
Rot. Bonds7

About N-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine

N-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine (PubChem CID 106604985) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine.

Molecular Properties

Compound NameN-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine
PubChem CID106604985
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine
SMILESCCCCN(CC1CCCN1)C1CCCC(C(C)C)CC1
InChIInChI=1S/C19H38N2/c1-4-5-14-21(15-18-9-7-13-20-18)19-10-6-8-17(11-12-19)16(2)3/h16-20H,4-15H2,1-3H3
InChIKeyJOEPCILYUXKFGG-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 107449581
N-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine
CID 106604544
N-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 106604377
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexanamine
CID 106603994
N-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979302
N-(3-ethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979258
N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604972
N-butyl-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
CID 106604803
N-butyl-N-(pyrrolidin-2-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 106604774
N-(3,3-diethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599695
N-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979274
N-butyl-N-(pyrrolidin-2-ylmethyl)cyclohex-2-en-1-amine
CID 106616594

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine?
The IUPAC name of N-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine (CID 106604985) is N-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine.
What is the SMILES notation for N-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine?
The canonical SMILES for N-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine is CCCCN(CC1CCCN1)C1CCCC(C(C)C)CC1.
What is the InChIKey of N-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine?
The InChIKey is JOEPCILYUXKFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-4-5-14-21(15-18-9-7-13-20-18)19-10-6-8-17(11-12-19)16(2)3/h16-20H,4-15H2,1-3H3.
What are the key properties of N-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine?
N-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine is sourced from PubChem (CID 106604985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).