(4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine

C14H25N3 — CID 40545835

IUPAC(4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine
SMILESCCN(CC)CCC[C@@H](C)Nc1ccccn1
InChIInChI=1S/C14H25N3/c1-4-17(5-2)12-8-9-13(3)16-14-10-6-7-11-15-14/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H,15,16)/t13-/m1/s1
InChIKeyAPSIOSFIDTXPHC-CYBMUJFWSA-N
MW235.38 g/mol
LogP3.00
Rot. Bonds8

About (4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine

(4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine (PubChem CID 40545835) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is (4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine.

Molecular Properties

Compound Name(4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine
PubChem CID40545835
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name(4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine
SMILESCCN(CC)CCC[C@@H](C)Nc1ccccn1
InChIInChI=1S/C14H25N3/c1-4-17(5-2)12-8-9-13(3)16-14-10-6-7-11-15-14/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H,15,16)/t13-/m1/s1
InChIKeyAPSIOSFIDTXPHC-CYBMUJFWSA-N
XLogP3.00
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-methylheptan-2-yl)pyridin-2-amine
CID 61472531
1-N,1-N-diethyl-4-N-(5-methyl-2-pyridinyl)pentane-1,4-diamine
CID 43095595
(4S)-1-N,1-N-diethyl-4-N-quinolin-2-ylpentane-1,4-diamine
CID 36691119
2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine
CID 43115432
4-N-[5-(diethylamino)pentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64831242
6-[5-(diethylamino)pentan-2-ylamino]pyridine-3-carbonitrile
CID 24692421
N-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine
CID 115977889
1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,4-diamine
CID 60732509
(4R)-1-N,1-N-diethyl-4-N-naphthalen-1-ylpentane-1,4-diamine
CID 129412307
2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,3,4-triamine;hydrochloride
CID 54606444
N-[2-(diethylamino)ethoxy]pyridin-2-amine
CID 54382786
4-N-(6-ethoxy-2-methylpyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 66325658

Frequently Asked Questions

What is the IUPAC name of (4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine?
The IUPAC name of (4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine (CID 40545835) is (4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine.
What is the SMILES notation for (4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine?
The canonical SMILES for (4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine is CCN(CC)CCC[C@@H](C)Nc1ccccn1.
What is the InChIKey of (4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine?
The InChIKey is APSIOSFIDTXPHC-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-17(5-2)12-8-9-13(3)16-14-10-6-7-11-15-14/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H,15,16)/t13-/m1/s1.
What are the key properties of (4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine?
(4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine has a molecular weight of 235.38 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine is sourced from PubChem (CID 40545835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).