(2R)-N-prop-2-ynylheptan-2-amine;hydrochloride

C10H20ClN — CID 18667076

IUPAC(2R)-N-prop-2-ynylheptan-2-amine;hydrochloride
SMILESC#CCN[C@H](C)CCCCC.Cl
InChIInChI=1S/C10H19N.ClH/c1-4-6-7-8-10(3)11-9-5-2;/h2,10-11H,4,6-9H2,1,3H3;1H/t10-;/m1./s1
InChIKeyAYIANEVGBUGCHQ-HNCPQSOCSA-N
MW189.73 g/mol
LogP2.60
Rot. Bonds6

About (2R)-N-prop-2-ynylheptan-2-amine;hydrochloride

(2R)-N-prop-2-ynylheptan-2-amine;hydrochloride (PubChem CID 18667076) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is (2R)-N-prop-2-ynylheptan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-N-prop-2-ynylheptan-2-amine;hydrochloride
PubChem CID18667076
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC Name(2R)-N-prop-2-ynylheptan-2-amine;hydrochloride
SMILESC#CCN[C@H](C)CCCCC.Cl
InChIInChI=1S/C10H19N.ClH/c1-4-6-7-8-10(3)11-9-5-2;/h2,10-11H,4,6-9H2,1,3H3;1H/t10-;/m1./s1
InChIKeyAYIANEVGBUGCHQ-HNCPQSOCSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-pent-4-ynylheptan-2-amine
CID 115724834
N-hex-1-yn-3-ylheptan-2-amine
CID 106226899
N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-propylnonan-2-amine
CID 43129664
N-heptan-2-yldodecan-1-amine
CID 63491878
N-octan-2-ylundecan-1-amine
CID 150124606
N-butylundecan-2-amine
CID 90035852
N-ethyloct-7-yn-2-amine
CID 64503782
N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine
CID 61465971
(2R)-N-(2-fluoroethyl)heptan-2-amine
CID 124512751
(Z)-N-ethylnonadec-10-en-2-amine
CID 90035830

Frequently Asked Questions

What is the IUPAC name of (2R)-N-prop-2-ynylheptan-2-amine;hydrochloride?
The IUPAC name of (2R)-N-prop-2-ynylheptan-2-amine;hydrochloride (CID 18667076) is (2R)-N-prop-2-ynylheptan-2-amine;hydrochloride.
What is the SMILES notation for (2R)-N-prop-2-ynylheptan-2-amine;hydrochloride?
The canonical SMILES for (2R)-N-prop-2-ynylheptan-2-amine;hydrochloride is C#CCN[C@H](C)CCCCC.Cl.
What is the InChIKey of (2R)-N-prop-2-ynylheptan-2-amine;hydrochloride?
The InChIKey is AYIANEVGBUGCHQ-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H19N.ClH/c1-4-6-7-8-10(3)11-9-5-2;/h2,10-11H,4,6-9H2,1,3H3;1H/t10-;/m1./s1.
What are the key properties of (2R)-N-prop-2-ynylheptan-2-amine;hydrochloride?
(2R)-N-prop-2-ynylheptan-2-amine;hydrochloride has a molecular weight of 189.73 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-prop-2-ynylheptan-2-amine;hydrochloride is sourced from PubChem (CID 18667076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).