N-(piperidin-3-ylmethyl)-N-propan-2-ylpent-3-yn-1-amine

C14H26N2 — CID 106638166

IUPACN-(piperidin-3-ylmethyl)-N-propan-2-ylpent-3-yn-1-amine
SMILESCC#CCCN(CC1CCCNC1)C(C)C
InChIInChI=1S/C14H26N2/c1-4-5-6-10-16(13(2)3)12-14-8-7-9-15-11-14/h13-15H,6-12H2,1-3H3
InChIKeyDCXCECGQRMTVHF-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.11
Rot. Bonds5

About N-(piperidin-3-ylmethyl)-N-propan-2-ylpent-3-yn-1-amine

N-(piperidin-3-ylmethyl)-N-propan-2-ylpent-3-yn-1-amine (PubChem CID 106638166) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-N-propan-2-ylpent-3-yn-1-amine.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-N-propan-2-ylpent-3-yn-1-amine
PubChem CID106638166
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-(piperidin-3-ylmethyl)-N-propan-2-ylpent-3-yn-1-amine
SMILESCC#CCCN(CC1CCCNC1)C(C)C
InChIInChI=1S/C14H26N2/c1-4-5-6-10-16(13(2)3)12-14-8-7-9-15-11-14/h13-15H,6-12H2,1-3H3
InChIKeyDCXCECGQRMTVHF-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanenitrile
CID 80554495
N-(piperidin-3-ylmethyl)-N-propylpent-3-yn-1-amine
CID 106640928
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624258
2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride
CID 119930509
N-(piperidin-3-ylmethyl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine
CID 106637776
2-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 103815885
N-cyclopropyl-3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanamide
CID 106637897
N-[2-(2-methylphenoxy)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637808
3-imidazol-1-yl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 106637470
N-[(4-bromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624142
N-(piperidin-3-ylmethyl)-N-propylpent-1-yn-3-amine
CID 106640729
2,6-dimethyl-4-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106624038

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-N-propan-2-ylpent-3-yn-1-amine?
The IUPAC name of N-(piperidin-3-ylmethyl)-N-propan-2-ylpent-3-yn-1-amine (CID 106638166) is N-(piperidin-3-ylmethyl)-N-propan-2-ylpent-3-yn-1-amine.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-N-propan-2-ylpent-3-yn-1-amine?
The canonical SMILES for N-(piperidin-3-ylmethyl)-N-propan-2-ylpent-3-yn-1-amine is CC#CCCN(CC1CCCNC1)C(C)C.
What is the InChIKey of N-(piperidin-3-ylmethyl)-N-propan-2-ylpent-3-yn-1-amine?
The InChIKey is DCXCECGQRMTVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-4-5-6-10-16(13(2)3)12-14-8-7-9-15-11-14/h13-15H,6-12H2,1-3H3.
What are the key properties of N-(piperidin-3-ylmethyl)-N-propan-2-ylpent-3-yn-1-amine?
N-(piperidin-3-ylmethyl)-N-propan-2-ylpent-3-yn-1-amine has a molecular weight of 222.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-N-propan-2-ylpent-3-yn-1-amine is sourced from PubChem (CID 106638166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).